N-(5-cycloheptyl-1H-pyrazol-3-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C18H28ClN7O — CID 119794232

IUPACN-(5-cycloheptyl-1H-pyrazol-3-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cc(C2CCCCCC2)[nH]n1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C18H27N7O.ClH/c26-18(16-12-25(24-22-16)14-7-9-19-10-8-14)20-17-11-15(21-23-17)13-5-3-1-2-4-6-13;/h11-14,19H,1-10H2,(H2,20,21,23,26);1H
InChIKeyZMXLUFHSSWTHAX-UHFFFAOYSA-N
MW393.92 g/mol
LogP3.04
Rot. Bonds4

About N-(5-cycloheptyl-1H-pyrazol-3-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-(5-cycloheptyl-1H-pyrazol-3-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119794232) has the molecular formula C18H28ClN7O and a molecular weight of 393.92 g/mol. Its IUPAC name is N-(5-cycloheptyl-1H-pyrazol-3-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(5-cycloheptyl-1H-pyrazol-3-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119794232
Molecular FormulaC18H28ClN7O
Molecular Weight393.92 g/mol
Exact Mass393.20
IUPAC NameN-(5-cycloheptyl-1H-pyrazol-3-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cc(C2CCCCCC2)[nH]n1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C18H27N7O.ClH/c26-18(16-12-25(24-22-16)14-7-9-19-10-8-14)20-17-11-15(21-23-17)13-5-3-1-2-4-6-13;/h11-14,19H,1-10H2,(H2,20,21,23,26);1H
InChIKeyZMXLUFHSSWTHAX-UHFFFAOYSA-N
XLogP3.04
TPSA100.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-cycloheptyl-1H-pyrazol-3-yl)piperidine-4-carboxamide;hydrochloride
CID 119329584
N-(cyclohexylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672522
N-[2-(cycloheptylamino)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 122080776
N-(2-cyclohexylethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119725715
N-(3,4-dichlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75419668
N-(cyclobutylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119724139
1-piperidin-4-yl-N-(3,4,5-trifluorophenyl)triazole-4-carboxamide
CID 119707993
N-[[(1R,2R)-2-hydroxycyclohexyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 125118838
N-(6-methyl-2-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63283426
N-[4-(cyclohexylmethoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119763422
N-(3,5-dimethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119673884
N-[2-[(2-cyclohexylacetyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119766778

Frequently Asked Questions

What is the IUPAC name of N-(5-cycloheptyl-1H-pyrazol-3-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(5-cycloheptyl-1H-pyrazol-3-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119794232) is N-(5-cycloheptyl-1H-pyrazol-3-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(5-cycloheptyl-1H-pyrazol-3-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(5-cycloheptyl-1H-pyrazol-3-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is Cl.O=C(Nc1cc(C2CCCCCC2)[nH]n1)c1cn(C2CCNCC2)nn1.
What is the InChIKey of N-(5-cycloheptyl-1H-pyrazol-3-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is ZMXLUFHSSWTHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7O.ClH/c26-18(16-12-25(24-22-16)14-7-9-19-10-8-14)20-17-11-15(21-23-17)13-5-3-1-2-4-6-13;/h11-14,19H,1-10H2,(H2,20,21,23,26);1H.
What are the key properties of N-(5-cycloheptyl-1H-pyrazol-3-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-(5-cycloheptyl-1H-pyrazol-3-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 393.92 g/mol, XLogP of 3.04, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cycloheptyl-1H-pyrazol-3-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119794232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).