5-amino-N-(2-fluoro-4-methylphenyl)-1-methylpyrazole-3-carboxamide

C12H13FN4O — CID 122171424

IUPAC5-amino-N-(2-fluoro-4-methylphenyl)-1-methylpyrazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(N)n(C)n2)c(F)c1
InChIInChI=1S/C12H13FN4O/c1-7-3-4-9(8(13)5-7)15-12(18)10-6-11(14)17(2)16-10/h3-6H,14H2,1-2H3,(H,15,18)
InChIKeyJSSMWDPBHUENII-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.70
Rot. Bonds2

About 5-amino-N-(2-fluoro-4-methylphenyl)-1-methylpyrazole-3-carboxamide

5-amino-N-(2-fluoro-4-methylphenyl)-1-methylpyrazole-3-carboxamide (PubChem CID 122171424) has the molecular formula C12H13FN4O and a molecular weight of 248.26 g/mol. Its IUPAC name is 5-amino-N-(2-fluoro-4-methylphenyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-fluoro-4-methylphenyl)-1-methylpyrazole-3-carboxamide
PubChem CID122171424
Molecular FormulaC12H13FN4O
Molecular Weight248.26 g/mol
Exact Mass248.11
IUPAC Name5-amino-N-(2-fluoro-4-methylphenyl)-1-methylpyrazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(N)n(C)n2)c(F)c1
InChIInChI=1S/C12H13FN4O/c1-7-3-4-9(8(13)5-7)15-12(18)10-6-11(14)17(2)16-10/h3-6H,14H2,1-2H3,(H,15,18)
InChIKeyJSSMWDPBHUENII-UHFFFAOYSA-N
XLogP1.70
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(2-fluoro-4-methylphenyl)-1-methylindazole-3-carboxamide
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N-(2-fluoro-4-methylphenyl)-5-(methylamino)pyridine-2-carboxamide
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N-(4-chloro-2-fluorophenyl)-2-fluoro-5-methylbenzamide
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2-amino-4-fluoro-N-(2-fluoro-4-methylphenyl)benzamide
CID 63109760
[4-bromo-5-[(2-fluoro-4-methylphenyl)carbamoyl]triazol-2-yl]phosphonic acid
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N-(2-fluoro-4-methylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-fluoro-4-methylphenyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of 5-amino-N-(2-fluoro-4-methylphenyl)-1-methylpyrazole-3-carboxamide (CID 122171424) is 5-amino-N-(2-fluoro-4-methylphenyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 5-amino-N-(2-fluoro-4-methylphenyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 5-amino-N-(2-fluoro-4-methylphenyl)-1-methylpyrazole-3-carboxamide is Cc1ccc(NC(=O)c2cc(N)n(C)n2)c(F)c1.
What is the InChIKey of 5-amino-N-(2-fluoro-4-methylphenyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is JSSMWDPBHUENII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O/c1-7-3-4-9(8(13)5-7)15-12(18)10-6-11(14)17(2)16-10/h3-6H,14H2,1-2H3,(H,15,18).
What are the key properties of 5-amino-N-(2-fluoro-4-methylphenyl)-1-methylpyrazole-3-carboxamide?
5-amino-N-(2-fluoro-4-methylphenyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 248.26 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-fluoro-4-methylphenyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 122171424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).