5-methyl-N-[2-(2-phenylethyl)pyrazol-3-yl]-1-piperidin-4-yltriazole-4-carboxamide

C20H25N7O — CID 119710914

IUPAC5-methyl-N-[2-(2-phenylethyl)pyrazol-3-yl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccnn2CCc2ccccc2)nnn1C1CCNCC1
InChIInChI=1S/C20H25N7O/c1-15-19(24-25-27(15)17-7-11-21-12-8-17)20(28)23-18-9-13-22-26(18)14-10-16-5-3-2-4-6-16/h2-6,9,13,17,21H,7-8,10-12,14H2,1H3,(H,23,28)
InChIKeyGQKFGJZRADPRCB-UHFFFAOYSA-N
MW379.47 g/mol
LogP2.20
Rot. Bonds6

About 5-methyl-N-[2-(2-phenylethyl)pyrazol-3-yl]-1-piperidin-4-yltriazole-4-carboxamide

5-methyl-N-[2-(2-phenylethyl)pyrazol-3-yl]-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119710914) has the molecular formula C20H25N7O and a molecular weight of 379.47 g/mol. Its IUPAC name is 5-methyl-N-[2-(2-phenylethyl)pyrazol-3-yl]-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-(2-phenylethyl)pyrazol-3-yl]-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119710914
Molecular FormulaC20H25N7O
Molecular Weight379.47 g/mol
Exact Mass379.21
IUPAC Name5-methyl-N-[2-(2-phenylethyl)pyrazol-3-yl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccnn2CCc2ccccc2)nnn1C1CCNCC1
InChIInChI=1S/C20H25N7O/c1-15-19(24-25-27(15)17-7-11-21-12-8-17)20(28)23-18-9-13-22-26(18)14-10-16-5-3-2-4-6-16/h2-6,9,13,17,21H,7-8,10-12,14H2,1H3,(H,23,28)
InChIKeyGQKFGJZRADPRCB-UHFFFAOYSA-N
XLogP2.20
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119685574
N-(1-benzyl-2-oxo-3-pyridinyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119811005
N-[2-(2-phenylethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide
CID 119710942
N-(2,2-diphenylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119688023
N-(2-ethoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119675634
5-methyl-1-piperidin-4-yl-N-(2-pyrazol-1-ylphenyl)triazole-4-carboxamide;hydrochloride
CID 119399997
N-[2-(2-phenylethyl)pyrazol-3-yl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119710933
N-[2-(2-chlorophenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119705388
N-[3-(methoxymethyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119722274
N-(3-acetylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119673298
5-methyl-N-(2-phenylsulfanylethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119691404
N-ethyl-5-methyl-N-(2-phenylethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119736297

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(2-phenylethyl)pyrazol-3-yl]-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[2-(2-phenylethyl)pyrazol-3-yl]-1-piperidin-4-yltriazole-4-carboxamide (CID 119710914) is 5-methyl-N-[2-(2-phenylethyl)pyrazol-3-yl]-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-(2-phenylethyl)pyrazol-3-yl]-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[2-(2-phenylethyl)pyrazol-3-yl]-1-piperidin-4-yltriazole-4-carboxamide is Cc1c(C(=O)Nc2ccnn2CCc2ccccc2)nnn1C1CCNCC1.
What is the InChIKey of 5-methyl-N-[2-(2-phenylethyl)pyrazol-3-yl]-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is GQKFGJZRADPRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O/c1-15-19(24-25-27(15)17-7-11-21-12-8-17)20(28)23-18-9-13-22-26(18)14-10-16-5-3-2-4-6-16/h2-6,9,13,17,21H,7-8,10-12,14H2,1H3,(H,23,28).
What are the key properties of 5-methyl-N-[2-(2-phenylethyl)pyrazol-3-yl]-1-piperidin-4-yltriazole-4-carboxamide?
5-methyl-N-[2-(2-phenylethyl)pyrazol-3-yl]-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 379.47 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(2-phenylethyl)pyrazol-3-yl]-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119710914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).