5-methyl-1-phenyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide

C17H16N4O — CID 46139091

IUPAC5-methyl-1-phenyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCc2ccncc2)cnn1-c1ccccc1
InChIInChI=1S/C17H16N4O/c1-13-16(12-20-21(13)15-5-3-2-4-6-15)17(22)19-11-14-7-9-18-10-8-14/h2-10,12H,11H2,1H3,(H,19,22)
InChIKeyMUAUIZKKAUIZTP-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.51
Rot. Bonds4

About 5-methyl-1-phenyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide

5-methyl-1-phenyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide (PubChem CID 46139091) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 5-methyl-1-phenyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-phenyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
PubChem CID46139091
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name5-methyl-1-phenyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCc2ccncc2)cnn1-c1ccccc1
InChIInChI=1S/C17H16N4O/c1-13-16(12-20-21(13)15-5-3-2-4-6-15)17(22)19-11-14-7-9-18-10-8-14/h2-10,12H,11H2,1H3,(H,19,22)
InChIKeyMUAUIZKKAUIZTP-UHFFFAOYSA-N
XLogP2.51
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 3827367
N-[(3-fluorophenyl)methyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 94048318
5-methyl-1-phenyl-N-(2-phenylethyl)pyrazole-4-carboxamide
CID 11098783
5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-phenylpyrazole-4-carboxamide
CID 108737353
1-(4-methoxyphenyl)-5-methyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 42818182
5-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1-phenylpyrazole-4-carboxamide
CID 90546458
5-methyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1-phenylpyrazole-4-carboxamide
CID 90489886
5-methyl-N-pentyl-1-phenylpyrazole-4-carboxamide
CID 34317853
N-[(4-fluorophenyl)methyl]-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide
CID 36747874
4-[[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]methyl]benzoic acid
CID 108793390
N-(2-hydroxy-2-phenylpropyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 111335159
7-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]heptanoic acid
CID 75405746

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-phenyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-1-phenyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide (CID 46139091) is 5-methyl-1-phenyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-phenyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-phenyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide is Cc1c(C(=O)NCc2ccncc2)cnn1-c1ccccc1.
What is the InChIKey of 5-methyl-1-phenyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is MUAUIZKKAUIZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-13-16(12-20-21(13)15-5-3-2-4-6-15)17(22)19-11-14-7-9-18-10-8-14/h2-10,12H,11H2,1H3,(H,19,22).
What are the key properties of 5-methyl-1-phenyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide?
5-methyl-1-phenyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-phenyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 46139091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).