5-amino-3-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxylic acid

C12H12FN3O2 — CID 53430304

IUPAC5-amino-3-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxylic acid
SMILESCCc1nn(-c2ccc(F)cc2)c(N)c1C(=O)O
InChIInChI=1S/C12H12FN3O2/c1-2-9-10(12(17)18)11(14)16(15-9)8-5-3-7(13)4-6-8/h3-6H,2,14H2,1H3,(H,17,18)
InChIKeySMWXYECURXETEJ-UHFFFAOYSA-N
MW249.25 g/mol
LogP1.85
Rot. Bonds3

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

5-amino-3-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxylic acid (PubChem CID 53430304) has the molecular formula C12H12FN3O2 and a molecular weight of 249.25 g/mol. Its IUPAC name is 5-amino-3-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-3-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxylic acid
PubChem CID53430304
Molecular FormulaC12H12FN3O2
Molecular Weight249.25 g/mol
Exact Mass249.09
IUPAC Name5-amino-3-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxylic acid
SMILESCCc1nn(-c2ccc(F)cc2)c(N)c1C(=O)O
InChIInChI=1S/C12H12FN3O2/c1-2-9-10(12(17)18)11(14)16(15-9)8-5-3-7(13)4-6-8/h3-6H,2,14H2,1H3,(H,17,18)
InChIKeySMWXYECURXETEJ-UHFFFAOYSA-N
XLogP1.85
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-amino-3-ethyl-1-(4-fluorophenyl)pyrazole-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

3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid
CID 612275
N-(1,3-Dimethyl-5-pyrazolyl)anthranilic acid
CID 615796
5-amino-1-(4-fluorophenyl)-1H-pyrazole-4-carboxylic acid
CID 5206832
4-(5-Amino-3-methyl-pyrazol-1-YL)-benzoic acid hydrochloride
CID 16192567
4-(5-amino-3-methyl-1H-pyrazol-1-yl)benzoic acid
CID 780318
2-(5-amino-3-methyl-1H-pyrazol-1-yl)benzoic acid
CID 700538
1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid
CID 1491355
5-amino-1-(2-fluorophenyl)-1H-pyrazole-4-carboxylic acid
CID 3701684
3-methyl-1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
CID 11821669
5-Anilino-3-methyl-4-pyrazolecarboxylic acid
CID 13446789
Methyl 5-amino-3-methyl-1-phenylpyrazole-4-carboxylate
CID 5309817
2-Ethoxyethyl 5-amino-3-ethyl-1-phenylpyrazole-4-carboxylate
CID 44573824

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxylic acid?
The IUPAC name of 5-amino-3-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxylic acid (CID 53430304) is 5-amino-3-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-amino-3-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 5-amino-3-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxylic acid is CCc1nn(-c2ccc(F)cc2)c(N)c1C(=O)O.
What is the InChIKey of 5-amino-3-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxylic acid?
The InChIKey is SMWXYECURXETEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2/c1-2-9-10(12(17)18)11(14)16(15-9)8-5-3-7(13)4-6-8/h3-6H,2,14H2,1H3,(H,17,18).
What are the key properties of 5-amino-3-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxylic acid?
5-amino-3-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxylic acid has a molecular weight of 249.25 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 53430304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).