1480420
  -OEChem-05122414222D

 29 31  0     0  0  0  0  0  0999 V2000
    2.8660   -3.6029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8971    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.5924    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.3971    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2996    4.1029    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    2.2018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    1.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.6029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    3.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.1029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.5871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.7929    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.7929    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.2071    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8819    1.3971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.4129    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.4129    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -3.5660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -4.4129    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -4.6398    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  1 19  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2  8  1  0  0  0  0
  3 14  2  0  0  0  0
  4  8  1  0  0  0  0
  4 13  2  0  0  0  0
  5 18  3  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
  9 20  1  0  0  0  0
 10 15  1  0  0  0  0
 10 21  1  0  0  0  0
 11 16  2  0  0  0  0
 11 22  1  0  0  0  0
 12 14  1  0  0  0  0
 12 18  1  0  0  0  0
 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 17  2  0  0  0  0
 15 25  1  0  0  0  0
 16 17  1  0  0  0  0
 16 26  1  0  0  0  0
 19 27  1  0  0  0  0
 19 28  1  0  0  0  0
 19 29  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
1480420

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
358

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzoAAAAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAFgB8AAAHgAIAAAADAzBnwY/tp4IFACyBzZnZACyjCsxoqAd2CA+bJiMruLE+duEtChsyBPI6CeQ0KMOIAAAAAAAAABAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

> <PUBCHEM_IUPAC_CAS_NAME>
7-(4-methoxyphenyl)-3-pyrazolo[1,5-a]pyrimidinecarbonitrile

> <PUBCHEM_IUPAC_NAME_MARKUP>
7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

> <PUBCHEM_IUPAC_NAME>
7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H10N4O/c1-19-12-4-2-10(3-5-12)13-6-7-16-14-11(8-15)9-17-18(13)14/h2-7,9H,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
LZWNTYMHBWYFOQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
1.3

> <PUBCHEM_EXACT_MASS>
250.08546096

> <PUBCHEM_MOLECULAR_FORMULA>
C14H10N4O

> <PUBCHEM_MOLECULAR_WEIGHT>
250.25

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC=C(C=C1)C2=CC=NC3=C(C=NN23)C#N

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC=C(C=C1)C2=CC=NC3=C(C=NN23)C#N

> <PUBCHEM_CACTVS_TPSA>
63.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
250.08546096

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  15  8
11  16  8
12  14  8
15  17  8
16  17  8
2  3  8
2  6  8
2  8  8
3  14  8
4  13  8
4  8  8
6  9  8
7  10  8
7  11  8
8  12  8
9  13  8

$$$$