3-amino-5-(4-fluorophenyl)-1-methylpyrazole-4-carboxylic acid

C11H10FN3O2 — CID 135370970

IUPAC3-amino-5-(4-fluorophenyl)-1-methylpyrazole-4-carboxylic acid
SMILESCn1nc(N)c(C(=O)O)c1-c1ccc(F)cc1
InChIInChI=1S/C11H10FN3O2/c1-15-9(6-2-4-7(12)5-3-6)8(11(16)17)10(13)14-15/h2-5H,1H3,(H2,13,14)(H,16,17)
InChIKeyAQSWEFXFTFFAKT-UHFFFAOYSA-N
MW235.22 g/mol
LogP1.51
Rot. Bonds2

About 3-amino-5-(4-fluorophenyl)-1-methylpyrazole-4-carboxylic acid

3-amino-5-(4-fluorophenyl)-1-methylpyrazole-4-carboxylic acid (PubChem CID 135370970) has the molecular formula C11H10FN3O2 and a molecular weight of 235.22 g/mol. Its IUPAC name is 3-amino-5-(4-fluorophenyl)-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-amino-5-(4-fluorophenyl)-1-methylpyrazole-4-carboxylic acid
PubChem CID135370970
Molecular FormulaC11H10FN3O2
Molecular Weight235.22 g/mol
Exact Mass235.08
IUPAC Name3-amino-5-(4-fluorophenyl)-1-methylpyrazole-4-carboxylic acid
SMILESCn1nc(N)c(C(=O)O)c1-c1ccc(F)cc1
InChIInChI=1S/C11H10FN3O2/c1-15-9(6-2-4-7(12)5-3-6)8(11(16)17)10(13)14-15/h2-5H,1H3,(H2,13,14)(H,16,17)
InChIKeyAQSWEFXFTFFAKT-UHFFFAOYSA-N
XLogP1.51
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-5-(4-fluorophenyl)-1-methylpyrazole-4-carboxylic acid 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-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-amine
CID 105474028
5-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide
CID 86721229
2-amino-4-(4-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid
CID 53430507
(E)-3-[5-(4-fluorophenyl)-1,3-dimethylpyrazol-4-yl]prop-2-enoic acid
CID 69205590
ethyl 5-(4-fluorophenyl)-1,4-dimethylpyrazole-3-carboxylate
CID 68709761
5-(4-methoxyphenyl)-1,3-dimethylpyrazole-4-carboxylic acid
CID 58962984
1-[5-(4-fluorophenyl)-1-methylpyrazol-4-yl]ethanone
CID 105472133
3-amino-5-[(2-fluorophenyl)methyl]-1-methylpyrazole-4-carboxylic acid
CID 135371438
5-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazole-4-carboxylic acid
CID 66614030
4-(2-chloro-4-fluorophenyl)-5-(4-chlorophenyl)-1-methylpyrazol-3-amine
CID 66880474
methyl 4-amino-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxylate
CID 165123998
5-(4-fluorophenyl)-1-methylpyrazol-4-amine
CID 28803587

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4-fluorophenyl)-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 3-amino-5-(4-fluorophenyl)-1-methylpyrazole-4-carboxylic acid (CID 135370970) is 3-amino-5-(4-fluorophenyl)-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 3-amino-5-(4-fluorophenyl)-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 3-amino-5-(4-fluorophenyl)-1-methylpyrazole-4-carboxylic acid is Cn1nc(N)c(C(=O)O)c1-c1ccc(F)cc1.
What is the InChIKey of 3-amino-5-(4-fluorophenyl)-1-methylpyrazole-4-carboxylic acid?
The InChIKey is AQSWEFXFTFFAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2/c1-15-9(6-2-4-7(12)5-3-6)8(11(16)17)10(13)14-15/h2-5H,1H3,(H2,13,14)(H,16,17).
What are the key properties of 3-amino-5-(4-fluorophenyl)-1-methylpyrazole-4-carboxylic acid?
3-amino-5-(4-fluorophenyl)-1-methylpyrazole-4-carboxylic acid has a molecular weight of 235.22 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4-fluorophenyl)-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 135370970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).