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

C19H17N7O — CID 154822330

IUPAC5-methyl-3-phenyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(-c2ccccc2)c1C(=O)NCc1cccnc1-n1cncn1
InChIInChI=1S/C19H17N7O/c1-13-16(17(25-24-13)14-6-3-2-4-7-14)19(27)22-10-15-8-5-9-21-18(15)26-12-20-11-23-26/h2-9,11-12H,10H2,1H3,(H,22,27)(H,24,25)
InChIKeyOYCAUUYAJJXFEK-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.29
Rot. Bonds5

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

5-methyl-3-phenyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide (PubChem CID 154822330) has the molecular formula C19H17N7O and a molecular weight of 359.39 g/mol. Its IUPAC name is 5-methyl-3-phenyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-3-phenyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide
PubChem CID154822330
Molecular FormulaC19H17N7O
Molecular Weight359.39 g/mol
Exact Mass359.15
IUPAC Name5-methyl-3-phenyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(-c2ccccc2)c1C(=O)NCc1cccnc1-n1cncn1
InChIInChI=1S/C19H17N7O/c1-13-16(17(25-24-13)14-6-3-2-4-7-14)19(27)22-10-15-8-5-9-21-18(15)26-12-20-11-23-26/h2-9,11-12H,10H2,1H3,(H,22,27)(H,24,25)
InChIKeyOYCAUUYAJJXFEK-UHFFFAOYSA-N
XLogP2.29
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-phenyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-3-phenyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide (CID 154822330) is 5-methyl-3-phenyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-3-phenyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-3-phenyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide is Cc1[nH]nc(-c2ccccc2)c1C(=O)NCc1cccnc1-n1cncn1.
What is the InChIKey of 5-methyl-3-phenyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is OYCAUUYAJJXFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O/c1-13-16(17(25-24-13)14-6-3-2-4-7-14)19(27)22-10-15-8-5-9-21-18(15)26-12-20-11-23-26/h2-9,11-12H,10H2,1H3,(H,22,27)(H,24,25).
What are the key properties of 5-methyl-3-phenyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide?
5-methyl-3-phenyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 154822330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).