5-methyl-1-piperidin-4-yl-N-(2-pyrazol-1-ylphenyl)triazole-4-carboxamide;hydrochloride

C18H22ClN7O — CID 119399997

IUPAC5-methyl-1-piperidin-4-yl-N-(2-pyrazol-1-ylphenyl)triazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)Nc2ccccc2-n2cccn2)nnn1C1CCNCC1.Cl
InChIInChI=1S/C18H21N7O.ClH/c1-13-17(22-23-25(13)14-7-10-19-11-8-14)18(26)21-15-5-2-3-6-16(15)24-12-4-9-20-24;/h2-6,9,12,14,19H,7-8,10-11H2,1H3,(H,21,26);1H
InChIKeyXJRPTXPGYHVCIA-UHFFFAOYSA-N
MW387.88 g/mol
LogP2.37
Rot. Bonds4

About 5-methyl-1-piperidin-4-yl-N-(2-pyrazol-1-ylphenyl)triazole-4-carboxamide;hydrochloride

5-methyl-1-piperidin-4-yl-N-(2-pyrazol-1-ylphenyl)triazole-4-carboxamide;hydrochloride (PubChem CID 119399997) has the molecular formula C18H22ClN7O and a molecular weight of 387.88 g/mol. Its IUPAC name is 5-methyl-1-piperidin-4-yl-N-(2-pyrazol-1-ylphenyl)triazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-methyl-1-piperidin-4-yl-N-(2-pyrazol-1-ylphenyl)triazole-4-carboxamide;hydrochloride
PubChem CID119399997
Molecular FormulaC18H22ClN7O
Molecular Weight387.88 g/mol
Exact Mass387.16
IUPAC Name5-methyl-1-piperidin-4-yl-N-(2-pyrazol-1-ylphenyl)triazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)Nc2ccccc2-n2cccn2)nnn1C1CCNCC1.Cl
InChIInChI=1S/C18H21N7O.ClH/c1-13-17(22-23-25(13)14-7-10-19-11-8-14)18(26)21-15-5-2-3-6-16(15)24-12-4-9-20-24;/h2-6,9,12,14,19H,7-8,10-11H2,1H3,(H,21,26);1H
InChIKeyXJRPTXPGYHVCIA-UHFFFAOYSA-N
XLogP2.37
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.88
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1-benzyl-2-oxo-3-pyridinyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119811005
5-methyl-1-piperidin-4-yl-N-[(4-pyrazol-1-ylphenyl)methyl]triazole-4-carboxamide;hydrochloride
CID 119725262
N-(2-ethoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119675634
5-methyl-1-piperidin-4-yl-N-[2-(3,3,3-trifluoropropyl)phenyl]triazole-4-carboxamide;hydrochloride
CID 119819418
5-methyl-1-piperidin-4-yl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]triazole-4-carboxamide;hydrochloride
CID 119809122
N-[2-(2,2-difluoroethoxy)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119814462
5-methyl-N-[2-(3-methylphenoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119680433
N-(4-fluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670658
5-methyl-N-(3-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670413
N-(3-methoxy-2,4-dimethylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119728769
5-methyl-1-piperidin-4-yl-N-(2,4,5-trifluorophenyl)triazole-4-carboxamide
CID 119708593
5-methyl-N-[2-(3-methylphenoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119680434

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-piperidin-4-yl-N-(2-pyrazol-1-ylphenyl)triazole-4-carboxamide;hydrochloride?
The IUPAC name of 5-methyl-1-piperidin-4-yl-N-(2-pyrazol-1-ylphenyl)triazole-4-carboxamide;hydrochloride (CID 119399997) is 5-methyl-1-piperidin-4-yl-N-(2-pyrazol-1-ylphenyl)triazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 5-methyl-1-piperidin-4-yl-N-(2-pyrazol-1-ylphenyl)triazole-4-carboxamide;hydrochloride?
The canonical SMILES for 5-methyl-1-piperidin-4-yl-N-(2-pyrazol-1-ylphenyl)triazole-4-carboxamide;hydrochloride is Cc1c(C(=O)Nc2ccccc2-n2cccn2)nnn1C1CCNCC1.Cl.
What is the InChIKey of 5-methyl-1-piperidin-4-yl-N-(2-pyrazol-1-ylphenyl)triazole-4-carboxamide;hydrochloride?
The InChIKey is XJRPTXPGYHVCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O.ClH/c1-13-17(22-23-25(13)14-7-10-19-11-8-14)18(26)21-15-5-2-3-6-16(15)24-12-4-9-20-24;/h2-6,9,12,14,19H,7-8,10-11H2,1H3,(H,21,26);1H.
What are the key properties of 5-methyl-1-piperidin-4-yl-N-(2-pyrazol-1-ylphenyl)triazole-4-carboxamide;hydrochloride?
5-methyl-1-piperidin-4-yl-N-(2-pyrazol-1-ylphenyl)triazole-4-carboxamide;hydrochloride has a molecular weight of 387.88 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-piperidin-4-yl-N-(2-pyrazol-1-ylphenyl)triazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119399997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).