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4-chloro-1-(piperidin-4-yl)-N-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide

4-chloro-1-(piperidin-4-yl)-N-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide

CAS: 1817698-21-7

Formula: C17H18ClN7O

SMILES: ClC1=CN(N=C1C(=O)NC1=CNN=C1C1=NC=CC=C1)C1CCNCC1

IUPAC: 4-chloro-1-(piperidin-4-yl)-N-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]-1H-pyrazole-3-carboxamide

InChI: InChI=1S/C17H18ClN7O/c18-12-10-25(11-4-7-19-8-5-11)24-15(12)17(26)22-14-9-21-23-16(14)13-3-1-2-6-20-13/h1-3,6,9-11,19H,4-5,7-8H2,(H,21,23)(H,22,26)

Composition: C (54.91%), H (4.88%), Cl (9.53%), N (26.37%), O (4.30%)

Molar Mass: 371.83

Atom Count: 44

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 371.1261359
Formal Charge 0
FSP3 0.29
Hetero Ring Count 4
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 3
InChIKey BPVZKUXLOLRECL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 111.01
Topological Polar Surface Area 100.52
Polarizability 38.48
Ring Count 4
Rotatable Bond Count 4

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