54801 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 17 8 8 7 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 4 4 4 5 5 6 6 6 7 7 7 8 8 8 9 9 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 16 16 17 18 18 19 19 20 22 22 22 20 15 17 22 5 9 11 10 12 8 15 32 21 41 42 9 10 23 24 25 26 27 13 28 29 14 30 31 33 34 35 36 37 38 16 17 18 19 20 39 21 40 21 43 44 45 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 2 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 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 6.3301 3.732 2.866 4.9641 5.9641 5.4641 4.5981 5.4641 4.6551 6.2731 4.3763 6.5519 3.3818 7.5464 4.5981 4.5981 3.732 5.4641 3.732 5.4641 4.5981 2 6.0165 4.0887 4.3451 6.5831 6.8395 4.9336 4.2054 6.7228 5.9946 6.001 3.317 2.7652 3.4466 7.4816 8.163 7.6112 6.001 3.1951 4.0611 5.135 1.69 1.4631 2.31 -2.7689 0.7311 -0.7689 3.2699 3.2699 0.7311 -3.7689 1.7311 2.3189 2.3189 4.0789 4.0789 3.9744 3.9744 0.2311 -0.7689 -1.2689 -1.2689 -2.2689 -2.2689 -2.7689 -1.2689 1.4496 2.571 1.7819 1.7819 2.571 4.3507 4.6749 4.6749 4.3507 0.4211 4.591 3.9096 3.3578 3.3578 3.9096 4.591 -0.9589 -2.5789 -4.0789 -4.0789 -0.732 -1.5789 -1.8059 8 8 8 8 8 8 16 16 17 18 19 20 17 18 19 20 21 21 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 373 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E073B000040000000000000000000000000160000000300000000000000000010000001E02180000000C2EC1982632C682C004008802255250008208002427001088810E6EC80C663685F69B94316866F61988E98798D9219E08200022000800101040004400100020000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-amino-5-chloro-N-(1,2-diethylpyrazolidin-4-yl)-2-methoxy-benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-amino-5-chloro-N-(1,2-diethyl-4-pyrazolidinyl)-2-methoxybenzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-amino-5-chloro-<I>N</I>-(1,2-diethylpyrazolidin-4-yl)-2-methoxybenzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-amino-5-chloro-N-(1,2-diethylpyrazolidin-4-yl)-2-methoxybenzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-azanyl-5-chloranyl-N-(1,2-diethylpyrazolidin-4-yl)-2-methoxy-benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-amino-5-chloro-N-(1,2-diethylpyrazolidin-4-yl)-2-methoxy-benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C15H23ClN4O2/c1-4-19-8-10(9-20(19)5-2)18-15(21)11-6-12(16)13(17)7-14(11)22-3/h6-7,10H,4-5,8-9,17H2,1-3H3,(H,18,21) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 YFXIKEZOBJFVAQ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 326.1509537 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C15H23ClN4O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 326.82 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCN1CC(CN1CC)NC(=O)C2=CC(=C(C=C2OC)N)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCN1CC(CN1CC)NC(=O)C2=CC(=C(C=C2OC)N)Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 70.8 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 326.1509537 22 0 0 0 0 0 0 0 1 -1