5-benzyl-1-methyl-N-[1-[3-(4-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]ethyl]pyrazole-4-carboxamide

C22H23N7O — CID 166227564

IUPAC5-benzyl-1-methyl-N-[1-[3-(4-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]ethyl]pyrazole-4-carboxamide
SMILESCc1ccnc(-c2n[nH]c(C(C)NC(=O)c3cnn(C)c3Cc3ccccc3)n2)c1
InChIInChI=1S/C22H23N7O/c1-14-9-10-23-18(11-14)21-26-20(27-28-21)15(2)25-22(30)17-13-24-29(3)19(17)12-16-7-5-4-6-8-16/h4-11,13,15H,12H2,1-3H3,(H,25,30)(H,26,27,28)
InChIKeyNKCFKWVBEKWNPF-UHFFFAOYSA-N
MW401.47 g/mol
LogP2.99
Rot. Bonds6

About 5-benzyl-1-methyl-N-[1-[3-(4-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]ethyl]pyrazole-4-carboxamide

5-benzyl-1-methyl-N-[1-[3-(4-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]ethyl]pyrazole-4-carboxamide (PubChem CID 166227564) has the molecular formula C22H23N7O and a molecular weight of 401.47 g/mol. Its IUPAC name is 5-benzyl-1-methyl-N-[1-[3-(4-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-benzyl-1-methyl-N-[1-[3-(4-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]ethyl]pyrazole-4-carboxamide
PubChem CID166227564
Molecular FormulaC22H23N7O
Molecular Weight401.47 g/mol
Exact Mass401.20
IUPAC Name5-benzyl-1-methyl-N-[1-[3-(4-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]ethyl]pyrazole-4-carboxamide
SMILESCc1ccnc(-c2n[nH]c(C(C)NC(=O)c3cnn(C)c3Cc3ccccc3)n2)c1
InChIInChI=1S/C22H23N7O/c1-14-9-10-23-18(11-14)21-26-20(27-28-21)15(2)25-22(30)17-13-24-29(3)19(17)12-16-7-5-4-6-8-16/h4-11,13,15H,12H2,1-3H3,(H,25,30)(H,26,27,28)
InChIKeyNKCFKWVBEKWNPF-UHFFFAOYSA-N
XLogP2.99
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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5-benzyl-1-methyl-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]pyrazole-4-carboxamide
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2-(cyclopropanecarbonylamino)-N-[1-[3-(4-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]ethyl]pyridine-4-carboxamide
CID 138997833
N-[1-[4-(6-aminopurin-9-yl)phenyl]ethyl]-5-benzyl-1-methylpyrazole-4-carboxamide
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5-benzyl-1-methyl-N-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrazole-4-carboxamide
CID 167854994
5-benzyl-N-[2-(4-fluoroanilino)-2-oxoethyl]-1-methylpyrazole-4-carboxamide
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N-[(1R)-3-amino-1-(2-chlorophenyl)-3-oxopropyl]-5-benzyl-1-methylpyrazole-4-carboxamide
CID 166216619
2-hydroxy-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 143616095
5-benzyl-1-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]pyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1-methyl-N-[1-[3-(4-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]ethyl]pyrazole-4-carboxamide?
The IUPAC name of 5-benzyl-1-methyl-N-[1-[3-(4-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]ethyl]pyrazole-4-carboxamide (CID 166227564) is 5-benzyl-1-methyl-N-[1-[3-(4-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-benzyl-1-methyl-N-[1-[3-(4-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-benzyl-1-methyl-N-[1-[3-(4-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]ethyl]pyrazole-4-carboxamide is Cc1ccnc(-c2n[nH]c(C(C)NC(=O)c3cnn(C)c3Cc3ccccc3)n2)c1.
What is the InChIKey of 5-benzyl-1-methyl-N-[1-[3-(4-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]ethyl]pyrazole-4-carboxamide?
The InChIKey is NKCFKWVBEKWNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O/c1-14-9-10-23-18(11-14)21-26-20(27-28-21)15(2)25-22(30)17-13-24-29(3)19(17)12-16-7-5-4-6-8-16/h4-11,13,15H,12H2,1-3H3,(H,25,30)(H,26,27,28).
What are the key properties of 5-benzyl-1-methyl-N-[1-[3-(4-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]ethyl]pyrazole-4-carboxamide?
5-benzyl-1-methyl-N-[1-[3-(4-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]ethyl]pyrazole-4-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1-methyl-N-[1-[3-(4-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 166227564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).