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

C20H26ClN7O — CID 119809122

IUPAC5-methyl-1-piperidin-4-yl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]triazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)NC(C)c2ccc(-n3cccn3)cc2)nnn1C1CCNCC1.Cl
InChIInChI=1S/C20H25N7O.ClH/c1-14(16-4-6-17(7-5-16)26-13-3-10-22-26)23-20(28)19-15(2)27(25-24-19)18-8-11-21-12-9-18;/h3-7,10,13-14,18,21H,8-9,11-12H2,1-2H3,(H,23,28);1H
InChIKeySUFCRRXITGCBNM-UHFFFAOYSA-N
MW415.93 g/mol
LogP2.61
Rot. Bonds5

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

5-methyl-1-piperidin-4-yl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]triazole-4-carboxamide;hydrochloride (PubChem CID 119809122) has the molecular formula C20H26ClN7O and a molecular weight of 415.93 g/mol. Its IUPAC name is 5-methyl-1-piperidin-4-yl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]triazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-methyl-1-piperidin-4-yl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]triazole-4-carboxamide;hydrochloride
PubChem CID119809122
Molecular FormulaC20H26ClN7O
Molecular Weight415.93 g/mol
Exact Mass415.19
IUPAC Name5-methyl-1-piperidin-4-yl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]triazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)NC(C)c2ccc(-n3cccn3)cc2)nnn1C1CCNCC1.Cl
InChIInChI=1S/C20H25N7O.ClH/c1-14(16-4-6-17(7-5-16)26-13-3-10-22-26)23-20(28)19-15(2)27(25-24-19)18-8-11-21-12-9-18;/h3-7,10,13-14,18,21H,8-9,11-12H2,1-2H3,(H,23,28);1H
InChIKeySUFCRRXITGCBNM-UHFFFAOYSA-N
XLogP2.61
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.93
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-methyl-1-piperidin-4-yl-N-[(4-pyrazol-1-ylphenyl)methyl]triazole-4-carboxamide;hydrochloride
CID 119725262
5-methyl-1-piperidin-4-yl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]triazole-4-carboxamide
CID 119900380
5-methyl-1-piperidin-4-yl-N-(2-pyrazol-1-ylphenyl)triazole-4-carboxamide;hydrochloride
CID 119399997
5-methyl-N-(3-methylbutan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119678385
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119692488
N-(2,2-diphenylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119688023
N-[1-(3-ethoxyphenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119745534
N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119692408
N-[(4-chlorophenyl)-cyclopropylmethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119689368
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119719868
5-methyl-N-[phenyl(1,3-thiazol-2-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119757925
N-[cyclopentyl-(4-fluorophenyl)methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119735344

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-piperidin-4-yl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]triazole-4-carboxamide;hydrochloride?
The IUPAC name of 5-methyl-1-piperidin-4-yl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]triazole-4-carboxamide;hydrochloride (CID 119809122) is 5-methyl-1-piperidin-4-yl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]triazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 5-methyl-1-piperidin-4-yl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]triazole-4-carboxamide;hydrochloride?
The canonical SMILES for 5-methyl-1-piperidin-4-yl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]triazole-4-carboxamide;hydrochloride is Cc1c(C(=O)NC(C)c2ccc(-n3cccn3)cc2)nnn1C1CCNCC1.Cl.
What is the InChIKey of 5-methyl-1-piperidin-4-yl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]triazole-4-carboxamide;hydrochloride?
The InChIKey is SUFCRRXITGCBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O.ClH/c1-14(16-4-6-17(7-5-16)26-13-3-10-22-26)23-20(28)19-15(2)27(25-24-19)18-8-11-21-12-9-18;/h3-7,10,13-14,18,21H,8-9,11-12H2,1-2H3,(H,23,28);1H.
What are the key properties of 5-methyl-1-piperidin-4-yl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]triazole-4-carboxamide;hydrochloride?
5-methyl-1-piperidin-4-yl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]triazole-4-carboxamide;hydrochloride has a molecular weight of 415.93 g/mol, XLogP of 2.61, 5 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-[1-(4-pyrazol-1-ylphenyl)ethyl]triazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119809122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).