5-ethyl-1-(4-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrazole-4-carboxamide

C20H19N7O — CID 37437425

IUPAC5-ethyl-1-(4-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2ccc(-n3cncn3)nc2)cnn1-c1ccc(C)cc1
InChIInChI=1S/C20H19N7O/c1-3-18-17(11-23-27(18)16-7-4-14(2)5-8-16)20(28)25-15-6-9-19(22-10-15)26-13-21-12-24-26/h4-13H,3H2,1-2H3,(H,25,28)
InChIKeyNTOWFDJYGWDSDQ-UHFFFAOYSA-N
MW373.42 g/mol
LogP2.97
Rot. Bonds5

About 5-ethyl-1-(4-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrazole-4-carboxamide

5-ethyl-1-(4-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrazole-4-carboxamide (PubChem CID 37437425) has the molecular formula C20H19N7O and a molecular weight of 373.42 g/mol. Its IUPAC name is 5-ethyl-1-(4-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-1-(4-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrazole-4-carboxamide
PubChem CID37437425
Molecular FormulaC20H19N7O
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC Name5-ethyl-1-(4-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2ccc(-n3cncn3)nc2)cnn1-c1ccc(C)cc1
InChIInChI=1S/C20H19N7O/c1-3-18-17(11-23-27(18)16-7-4-14(2)5-8-16)20(28)25-15-6-9-19(22-10-15)26-13-21-12-24-26/h4-13H,3H2,1-2H3,(H,25,28)
InChIKeyNTOWFDJYGWDSDQ-UHFFFAOYSA-N
XLogP2.97
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-ethyl-N,1-bis(4-methylphenyl)pyrazole-4-carboxamide
CID 46584156
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 55581030
N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 55786497
N-(4-ethoxyphenyl)-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 46584032
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
CID 55566962
5-ethyl-1-(4-methylphenyl)-N-(1-phenylpyrazol-3-yl)pyrazole-4-carboxamide
CID 55580357
N-(3-cyanophenyl)-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 46586204
1-(4-bromophenyl)-5-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrazole-4-carboxamide
CID 37120145
N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 55963533
N-(3,4-dimethylphenyl)-5-ethyl-1-phenylpyrazole-4-carboxamide
CID 46577913
4-chloro-2-methoxy-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
CID 51095167
5-ethyl-1-(4-methylphenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]pyrazole-4-carboxamide
CID 55676186

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(4-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of 5-ethyl-1-(4-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrazole-4-carboxamide (CID 37437425) is 5-ethyl-1-(4-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-1-(4-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-ethyl-1-(4-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrazole-4-carboxamide is CCc1c(C(=O)Nc2ccc(-n3cncn3)nc2)cnn1-c1ccc(C)cc1.
What is the InChIKey of 5-ethyl-1-(4-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is NTOWFDJYGWDSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O/c1-3-18-17(11-23-27(18)16-7-4-14(2)5-8-16)20(28)25-15-6-9-19(22-10-15)26-13-21-12-24-26/h4-13H,3H2,1-2H3,(H,25,28).
What are the key properties of 5-ethyl-1-(4-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrazole-4-carboxamide?
5-ethyl-1-(4-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 373.42 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(4-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 37437425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).