5-methyl-1-phenyl-N-pyridin-3-ylpyrazole-4-carboxamide

C16H14N4O — CID 17464539

IUPAC5-methyl-1-phenyl-N-pyridin-3-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cccnc2)cnn1-c1ccccc1
InChIInChI=1S/C16H14N4O/c1-12-15(16(21)19-13-6-5-9-17-10-13)11-18-20(12)14-7-3-2-4-8-14/h2-11H,1H3,(H,19,21)
InChIKeyUGJIHLUVFMLZJW-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.83
Rot. Bonds3

About 5-methyl-1-phenyl-N-pyridin-3-ylpyrazole-4-carboxamide

5-methyl-1-phenyl-N-pyridin-3-ylpyrazole-4-carboxamide (PubChem CID 17464539) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is 5-methyl-1-phenyl-N-pyridin-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-phenyl-N-pyridin-3-ylpyrazole-4-carboxamide
PubChem CID17464539
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name5-methyl-1-phenyl-N-pyridin-3-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cccnc2)cnn1-c1ccccc1
InChIInChI=1S/C16H14N4O/c1-12-15(16(21)19-13-6-5-9-17-10-13)11-18-20(12)14-7-3-2-4-8-14/h2-11H,1H3,(H,19,21)
InChIKeyUGJIHLUVFMLZJW-UHFFFAOYSA-N
XLogP2.83
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-methylbenzoyl)amino]-1-phenyl-N-pyridin-3-ylpyrazole-4-carboxamide
CID 1365341
N-(4-bromophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 41482979
N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108743569
2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]benzoic acid
CID 108804246
5-methyl-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrazole-4-carboxamide
CID 41420930
N-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108804181
5-methyl-1-(3-methylphenyl)-N-pyridin-4-ylpyrazole-4-carboxamide
CID 25343532
1-phenyl-3-propan-2-yl-N-pyridin-3-ylpyrazole-5-carboxamide
CID 52898817
N-[3-(1,3-dithiolan-2-yl)phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 34441538
5-methyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 137375534
5-methyl-1-phenyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
CID 46139091
N-(2,5-dimethylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850670

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-phenyl-N-pyridin-3-ylpyrazole-4-carboxamide?
The IUPAC name of 5-methyl-1-phenyl-N-pyridin-3-ylpyrazole-4-carboxamide (CID 17464539) is 5-methyl-1-phenyl-N-pyridin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-phenyl-N-pyridin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-phenyl-N-pyridin-3-ylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2cccnc2)cnn1-c1ccccc1.
What is the InChIKey of 5-methyl-1-phenyl-N-pyridin-3-ylpyrazole-4-carboxamide?
The InChIKey is UGJIHLUVFMLZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-12-15(16(21)19-13-6-5-9-17-10-13)11-18-20(12)14-7-3-2-4-8-14/h2-11H,1H3,(H,19,21).
What are the key properties of 5-methyl-1-phenyl-N-pyridin-3-ylpyrazole-4-carboxamide?
5-methyl-1-phenyl-N-pyridin-3-ylpyrazole-4-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 2.83, 3 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-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 17464539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).