N-[2-(3-chlorophenyl)pyrazol-3-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C17H19Cl2N7O — CID 119773561

IUPACN-[2-(3-chlorophenyl)pyrazol-3-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccnn1-c1cccc(Cl)c1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C17H18ClN7O.ClH/c18-12-2-1-3-14(10-12)25-16(6-9-20-25)21-17(26)15-11-24(23-22-15)13-4-7-19-8-5-13;/h1-3,6,9-11,13,19H,4-5,7-8H2,(H,21,26);1H
InChIKeyCFXXAXUITHGFGS-UHFFFAOYSA-N
MW408.29 g/mol
LogP2.72
Rot. Bonds4

About N-[2-(3-chlorophenyl)pyrazol-3-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-[2-(3-chlorophenyl)pyrazol-3-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119773561) has the molecular formula C17H19Cl2N7O and a molecular weight of 408.29 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)pyrazol-3-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)pyrazol-3-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119773561
Molecular FormulaC17H19Cl2N7O
Molecular Weight408.29 g/mol
Exact Mass407.10
IUPAC NameN-[2-(3-chlorophenyl)pyrazol-3-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccnn1-c1cccc(Cl)c1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C17H18ClN7O.ClH/c18-12-2-1-3-14(10-12)25-16(6-9-20-25)21-17(26)15-11-24(23-22-15)13-4-7-19-8-5-13;/h1-3,6,9-11,13,19H,4-5,7-8H2,(H,21,26);1H
InChIKeyCFXXAXUITHGFGS-UHFFFAOYSA-N
XLogP2.72
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.29
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(3-chlorophenyl)-2-methylphenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119769723
N-[2-(3-chlorophenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide;hydrochloride
CID 119773583
N-[2-(3-chlorophenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119688217
N-(3,4-dichlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75419668
N-(5-chloro-2-piperidin-1-ylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119829337
N-[1-(3-chlorophenyl)cyclopentyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119815411
N-(2-chlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63282984
methyl 3-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride
CID 119679642
N-(5-chloro-2-ethylsulfanylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119776568
N-(2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670454
N-(3,4-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119673598
N-(3-phenoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119673234

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)pyrazol-3-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(3-chlorophenyl)pyrazol-3-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119773561) is N-[2-(3-chlorophenyl)pyrazol-3-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(3-chlorophenyl)pyrazol-3-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(3-chlorophenyl)pyrazol-3-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is Cl.O=C(Nc1ccnn1-c1cccc(Cl)c1)c1cn(C2CCNCC2)nn1.
What is the InChIKey of N-[2-(3-chlorophenyl)pyrazol-3-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is CFXXAXUITHGFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN7O.ClH/c18-12-2-1-3-14(10-12)25-16(6-9-20-25)21-17(26)15-11-24(23-22-15)13-4-7-19-8-5-13;/h1-3,6,9-11,13,19H,4-5,7-8H2,(H,21,26);1H.
What are the key properties of N-[2-(3-chlorophenyl)pyrazol-3-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-[2-(3-chlorophenyl)pyrazol-3-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 408.29 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)pyrazol-3-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119773561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).