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

C12H13FN4O — CID 65355912

IUPAC4-amino-N-(2-fluoro-4-methylphenyl)-1-methylpyrazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2c(N)cnn2C)c(F)c1
InChIInChI=1S/C12H13FN4O/c1-7-3-4-10(8(13)5-7)16-12(18)11-9(14)6-15-17(11)2/h3-6H,14H2,1-2H3,(H,16,18)
InChIKeyXEPASTDBPQQZJG-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.70
Rot. Bonds2

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

4-amino-N-(2-fluoro-4-methylphenyl)-1-methylpyrazole-5-carboxamide (PubChem CID 65355912) has the molecular formula C12H13FN4O and a molecular weight of 248.26 g/mol. Its IUPAC name is 4-amino-N-(2-fluoro-4-methylphenyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-fluoro-4-methylphenyl)-1-methylpyrazole-5-carboxamide
PubChem CID65355912
Molecular FormulaC12H13FN4O
Molecular Weight248.26 g/mol
Exact Mass248.11
IUPAC Name4-amino-N-(2-fluoro-4-methylphenyl)-1-methylpyrazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2c(N)cnn2C)c(F)c1
InChIInChI=1S/C12H13FN4O/c1-7-3-4-10(8(13)5-7)16-12(18)11-9(14)6-15-17(11)2/h3-6H,14H2,1-2H3,(H,16,18)
InChIKeyXEPASTDBPQQZJG-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

Analyze 4-amino-N-(2-fluoro-4-methylphenyl)-1-methylpyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-1-methyl-N-(4-methyl-2-propoxyphenyl)pyrazole-5-carboxamide
CID 65355681
4-amino-N-(5-chloro-2-methylphenyl)-1-methylpyrazole-5-carboxamide
CID 65356207
4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-5-carboxamide
CID 65359614
4-amino-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide
CID 7017546
4-amino-1-methyl-N-(4-methyl-2-pyridinyl)pyrazole-5-carboxamide
CID 65355663
5-amino-N-(2-fluoro-4-methylphenyl)-1-methylpyrazole-3-carboxamide
CID 122171424
4-amino-N-(2-fluoro-4-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43643166
2-amino-4-fluoro-N-(2-fluoro-4-methylphenyl)benzamide
CID 63109760
N-(2-fluoro-4-methylphenyl)-1-methylindazole-3-carboxamide
CID 71794697
N-(4-acetamido-3-chlorophenyl)-4-amino-1-methylpyrazole-5-carboxamide
CID 65355536
4-N,5-N-bis(2,5-dimethylphenyl)-1-methylpyrazole-4,5-dicarboxamide
CID 29096951
N-(2,5-dimethylphenyl)-4-iodo-1-methylpyrazole-5-carboxamide
CID 19476120

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-fluoro-4-methylphenyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2-fluoro-4-methylphenyl)-1-methylpyrazole-5-carboxamide (CID 65355912) is 4-amino-N-(2-fluoro-4-methylphenyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2-fluoro-4-methylphenyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2-fluoro-4-methylphenyl)-1-methylpyrazole-5-carboxamide is Cc1ccc(NC(=O)c2c(N)cnn2C)c(F)c1.
What is the InChIKey of 4-amino-N-(2-fluoro-4-methylphenyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is XEPASTDBPQQZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O/c1-7-3-4-10(8(13)5-7)16-12(18)11-9(14)6-15-17(11)2/h3-6H,14H2,1-2H3,(H,16,18).
What are the key properties of 4-amino-N-(2-fluoro-4-methylphenyl)-1-methylpyrazole-5-carboxamide?
4-amino-N-(2-fluoro-4-methylphenyl)-1-methylpyrazole-5-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 4-amino-N-(2-fluoro-4-methylphenyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 65355912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).