1-benzyl-5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrazole-4-carboxamide;hydrochloride

C20H26ClN7O — CID 120644407

IUPAC1-benzyl-5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)Nc2nc(C3CCNCC3)nn2C)cnn1Cc1ccccc1.Cl
InChIInChI=1S/C20H25N7O.ClH/c1-14-17(12-22-27(14)13-15-6-4-3-5-7-15)19(28)24-20-23-18(25-26(20)2)16-8-10-21-11-9-16;/h3-7,12,16,21H,8-11,13H2,1-2H3,(H,23,24,25,28);1H
InChIKeyLBLPNYJFQWJUHM-UHFFFAOYSA-N
MW415.93 g/mol
LogP2.51
Rot. Bonds5

About 1-benzyl-5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrazole-4-carboxamide;hydrochloride

1-benzyl-5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrazole-4-carboxamide;hydrochloride (PubChem CID 120644407) has the molecular formula C20H26ClN7O and a molecular weight of 415.93 g/mol. Its IUPAC name is 1-benzyl-5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-benzyl-5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrazole-4-carboxamide;hydrochloride
PubChem CID120644407
Molecular FormulaC20H26ClN7O
Molecular Weight415.93 g/mol
Exact Mass415.19
IUPAC Name1-benzyl-5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)Nc2nc(C3CCNCC3)nn2C)cnn1Cc1ccccc1.Cl
InChIInChI=1S/C20H25N7O.ClH/c1-14-17(12-22-27(14)13-15-6-4-3-5-7-15)19(28)24-20-23-18(25-26(20)2)16-8-10-21-11-9-16;/h3-7,12,16,21H,8-11,13H2,1-2H3,(H,23,24,25,28);1H
InChIKeyLBLPNYJFQWJUHM-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-phenyltriazole-4-carboxamide;hydrochloride
CID 120642088
N-[2-[(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)amino]-2-oxoethyl]benzamide;hydrochloride
CID 120642991
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-phenylpropanamide
CID 120642790
2,3-difluoro-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride
CID 120643936
2-hydroxy-3-methoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride
CID 120644350
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1-benzofuran-3-carboxamide;hydrochloride
CID 120644546
1-benzyl-5-methyl-N-piperidin-3-ylpyrazole-4-carboxamide
CID 119428406
5-(2-chlorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)furan-2-carboxamide
CID 120645092
3-(methoxymethyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride
CID 120643387
2-(3-ethylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide;hydrochloride
CID 120643521
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-4-propylbenzamide;hydrochloride
CID 120644118
1-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrrole-2-carboxamide
CID 120643132

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrazole-4-carboxamide;hydrochloride?
The IUPAC name of 1-benzyl-5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrazole-4-carboxamide;hydrochloride (CID 120644407) is 1-benzyl-5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-benzyl-5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for 1-benzyl-5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrazole-4-carboxamide;hydrochloride is Cc1c(C(=O)Nc2nc(C3CCNCC3)nn2C)cnn1Cc1ccccc1.Cl.
What is the InChIKey of 1-benzyl-5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrazole-4-carboxamide;hydrochloride?
The InChIKey is LBLPNYJFQWJUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O.ClH/c1-14-17(12-22-27(14)13-15-6-4-3-5-7-15)19(28)24-20-23-18(25-26(20)2)16-8-10-21-11-9-16;/h3-7,12,16,21H,8-11,13H2,1-2H3,(H,23,24,25,28);1H.
What are the key properties of 1-benzyl-5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrazole-4-carboxamide;hydrochloride?
1-benzyl-5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrazole-4-carboxamide;hydrochloride has a molecular weight of 415.93 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120644407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).