1-(4-fluoro-2-methylphenyl)-N-(5-methyl-1H-imidazol-2-yl)pyrazole-3-carboxamide

C15H14FN5O — CID 75484539

IUPAC1-(4-fluoro-2-methylphenyl)-N-(5-methyl-1H-imidazol-2-yl)pyrazole-3-carboxamide
SMILESCc1cnc(NC(=O)c2ccn(-c3ccc(F)cc3C)n2)[nH]1
InChIInChI=1S/C15H14FN5O/c1-9-7-11(16)3-4-13(9)21-6-5-12(20-21)14(22)19-15-17-8-10(2)18-15/h3-8H,1-2H3,(H2,17,18,19,22)
InChIKeyDNROZTVIEGROHP-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.60
Rot. Bonds3

About 1-(4-fluoro-2-methylphenyl)-N-(5-methyl-1H-imidazol-2-yl)pyrazole-3-carboxamide

1-(4-fluoro-2-methylphenyl)-N-(5-methyl-1H-imidazol-2-yl)pyrazole-3-carboxamide (PubChem CID 75484539) has the molecular formula C15H14FN5O and a molecular weight of 299.31 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-N-(5-methyl-1H-imidazol-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-N-(5-methyl-1H-imidazol-2-yl)pyrazole-3-carboxamide
PubChem CID75484539
Molecular FormulaC15H14FN5O
Molecular Weight299.31 g/mol
Exact Mass299.12
IUPAC Name1-(4-fluoro-2-methylphenyl)-N-(5-methyl-1H-imidazol-2-yl)pyrazole-3-carboxamide
SMILESCc1cnc(NC(=O)c2ccn(-c3ccc(F)cc3C)n2)[nH]1
InChIInChI=1S/C15H14FN5O/c1-9-7-11(16)3-4-13(9)21-6-5-12(20-21)14(22)19-15-17-8-10(2)18-15/h3-8H,1-2H3,(H2,17,18,19,22)
InChIKeyDNROZTVIEGROHP-UHFFFAOYSA-N
XLogP2.60
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxylic acid
CID 28974076
N-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide
CID 87073349
4-[[1-(4-fluoro-2-methylphenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 120524577
1-(4-fluoro-2-methylphenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyrazole-3-carboxamide
CID 119043465
7-[[1-(4-fluoro-2-methylphenyl)pyrazole-3-carbonyl]amino]heptanoic acid
CID 120524082
1-(4-fluoro-2-methylphenyl)-N-(2-pyridin-3-yloxyethyl)pyrazole-3-carboxamide
CID 75520053
2-ethyl-5-fluoro-N-(5-methyl-1H-imidazol-2-yl)benzamide
CID 167874192
N-(4-cyano-3-morpholin-4-yl-1H-pyrazol-5-yl)-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide
CID 166371043
N-(1-carbamoylpyrrolidin-3-yl)-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide
CID 86787736
1-[2-(aminomethyl)-4-fluorophenyl]-N-methylpyrazole-3-carboxamide
CID 64781708
methyl 1-(4-fluoro-2-methylphenyl)-4-oxopyridazine-3-carboxylate
CID 63953235
(3R)-4-[1-(4-fluoro-2-methylphenyl)pyrazole-3-carbonyl]-3-methyl-1,4-diazepan-2-one
CID 124620027

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-N-(5-methyl-1H-imidazol-2-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-N-(5-methyl-1H-imidazol-2-yl)pyrazole-3-carboxamide (CID 75484539) is 1-(4-fluoro-2-methylphenyl)-N-(5-methyl-1H-imidazol-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-N-(5-methyl-1H-imidazol-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-N-(5-methyl-1H-imidazol-2-yl)pyrazole-3-carboxamide is Cc1cnc(NC(=O)c2ccn(-c3ccc(F)cc3C)n2)[nH]1.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-N-(5-methyl-1H-imidazol-2-yl)pyrazole-3-carboxamide?
The InChIKey is DNROZTVIEGROHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5O/c1-9-7-11(16)3-4-13(9)21-6-5-12(20-21)14(22)19-15-17-8-10(2)18-15/h3-8H,1-2H3,(H2,17,18,19,22).
What are the key properties of 1-(4-fluoro-2-methylphenyl)-N-(5-methyl-1H-imidazol-2-yl)pyrazole-3-carboxamide?
1-(4-fluoro-2-methylphenyl)-N-(5-methyl-1H-imidazol-2-yl)pyrazole-3-carboxamide has a molecular weight of 299.31 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-N-(5-methyl-1H-imidazol-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 75484539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).