3578384 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 8 7 7 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 4 4 4 4 5 5 5 6 6 7 7 8 9 7 19 3 8 18 9 5 6 10 11 7 12 13 8 9 14 15 16 17 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 3.6711 2.809 2 3.8968 3.4901 3.309 4.0778 3.618 2.309 4.3275 4.4108 3.0594 2.9761 4.5085 4.5918 4.2077 1.9446 2.809 4.0355 2.5512 -2.4328 -1.845 -0.0849 0.8286 -0.8939 1.6376 -1.845 -0.8939 -0.5309 0.2618 1.2746 0.4819 1.1917 1.9843 -2.0366 -0.3923 -3.0528 3.0528 8 8 8 8 8 2 2 3 6 6 3 8 9 8 9 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 77.5 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 2 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371C0632000000000000000000000000000000160000000000000000000000000018000001E00180800000C00E19A062C8090630200A202106740009004002080001031A020441800308200D14080C4000488000040009010000C00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 3-(1H-pyrazol-4-yl)propan-1-ol IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 3-(1H-pyrazol-4-yl)-1-propanol IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 3-(1H-pyrazol-4-yl)propan-1-ol IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 3-(1H-pyrazol-4-yl)propan-1-ol IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 3-(1H-pyrazol-4-yl)propan-1-ol InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C6H10N2O/c9-3-1-2-6-4-7-8-5-6/h4-5,9H,1-3H2,(H,7,8) InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 LGBRAJDGWUXFBO-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 0.5 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 126.079313 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C6H10N2O Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 126.1564 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C1=C(C=NN1)CCCO SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C1=C(C=NN1)CCCO Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 48.9 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 126.079313 9 0 0 0 0 0 0 0 1 1