5-(4-fluorophenyl)-1H-pyrazole-4-carboxylic acid

C10H7FN2O2 — CID 3465472

IUPAC5-(4-fluorophenyl)-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C10H7FN2O2/c11-7-3-1-6(2-4-7)9-8(10(14)15)5-12-13-9/h1-5H,(H,12,13)(H,14,15)
InChIKeyPVFRXBPKNHHXFE-UHFFFAOYSA-N
MW206.18 g/mol
LogP1.91
Rot. Bonds2

About 5-(4-fluorophenyl)-1H-pyrazole-4-carboxylic acid

5-(4-fluorophenyl)-1H-pyrazole-4-carboxylic acid (PubChem CID 3465472) has the molecular formula C10H7FN2O2 and a molecular weight of 206.18 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(4-fluorophenyl)-1H-pyrazole-4-carboxylic acid
PubChem CID3465472
Molecular FormulaC10H7FN2O2
Molecular Weight206.18 g/mol
Exact Mass206.05
IUPAC Name5-(4-fluorophenyl)-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C10H7FN2O2/c11-7-3-1-6(2-4-7)9-8(10(14)15)5-12-13-9/h1-5H,(H,12,13)(H,14,15)
InChIKeyPVFRXBPKNHHXFE-UHFFFAOYSA-N
XLogP1.91
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.18
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-(4-fluorophenyl)-1H-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-(3-nitrophenyl)-1H-pyrazole-4-carboxylic acid
CID 4202176
1-Methyl-5-phenyl-1H-pyrazole-4-carboxylic acid
CID 2795474
3-(1H-pyrazol-3-yl)benzoic acid
CID 2795542
3-(1H-pyrazol-4-yl)benzoic Acid
CID 7174253
3-(4-Fluorophenyl)-1H-pyrazole-4-carboxaldehyde
CID 605439
3-phenyl-1H-pyrazole-4-carboxylic acid
CID 4138562
3-(4-Bromophenyl)-1H-pyrazole-4-carboxylic acid
CID 776539
4-phenyl-1H-pyrazole-3-carboxylic acid
CID 347194
1H-Indazole-7-carboxylic acid
CID 12639205
1-(2-Carboxyethyl)-3-phenylpyrazole-4-carboxylic acid
CID 2345078
3-(2,4-difluorophenyl)-1-methyl-1H-pyrazole-4-carboxylic acid
CID 43141375
4-(1H-Pyrazol-4-yl)benzoic acid
CID 23005001

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-(4-fluorophenyl)-1H-pyrazole-4-carboxylic acid (CID 3465472) is 5-(4-fluorophenyl)-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(4-fluorophenyl)-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-(4-fluorophenyl)-1H-pyrazole-4-carboxylic acid is O=C(O)c1cn[nH]c1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-1H-pyrazole-4-carboxylic acid?
The InChIKey is PVFRXBPKNHHXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O2/c11-7-3-1-6(2-4-7)9-8(10(14)15)5-12-13-9/h1-5H,(H,12,13)(H,14,15).
What are the key properties of 5-(4-fluorophenyl)-1H-pyrazole-4-carboxylic acid?
5-(4-fluorophenyl)-1H-pyrazole-4-carboxylic acid has a molecular weight of 206.18 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 3465472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).