3-(4-fluorophenyl)-1H-pyrazole-5-carboxylic acid

C10H7FN2O2 — CID 940540

IUPAC3-(4-fluorophenyl)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C10H7FN2O2/c11-7-3-1-6(2-4-7)8-5-9(10(14)15)13-12-8/h1-5H,(H,12,13)(H,14,15)
InChIKeyFDNYHBASQZFVBL-UHFFFAOYSA-N
MW206.18 g/mol
LogP1.91
Rot. Bonds2

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

3-(4-fluorophenyl)-1H-pyrazole-5-carboxylic acid (PubChem CID 940540) has the molecular formula C10H7FN2O2 and a molecular weight of 206.18 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1H-pyrazole-5-carboxylic acid
PubChem CID940540
Molecular FormulaC10H7FN2O2
Molecular Weight206.18 g/mol
Exact Mass206.05
IUPAC Name3-(4-fluorophenyl)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C10H7FN2O2/c11-7-3-1-6(2-4-7)8-5-9(10(14)15)13-12-8/h1-5H,(H,12,13)(H,14,15)
InChIKeyFDNYHBASQZFVBL-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

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Related Compounds

Pyrazole-5-carboxylic acid, 3-phenyl-
CID 121025
Indazole-3-carboxylic acid
CID 78250
3-(3-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 1399024
5-phenethyl-1H-pyrazole-3-carboxylic Acid
CID 11830866
3-benzyl-1H-pyrazole-5-carboxylic acid
CID 11041813
5-(2-chlorophenyl)-1H-pyrazole-3-carboxylic acid
CID 646303
methyl 3-phenyl-1H-pyrazole-5-carboxylate
CID 644585
3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid
CID 738819
3-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 818267
5-(4-nitrophenyl)-1H-pyrazole-3-carboxylic acid
CID 2771349
5-(2,4-Dimethylphenyl)-1H-pyrazole-3-carboxylic acid
CID 4274816
3-(3,4-dimethylphenyl)-1H-pyrazole-5-carboxylic acid
CID 4598704

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylic acid (CID 940540) is 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylic acid is O=C(O)c1cc(-c2ccc(F)cc2)n[nH]1.
What is the InChIKey of 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is FDNYHBASQZFVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O2/c11-7-3-1-6(2-4-7)8-5-9(10(14)15)13-12-8/h1-5H,(H,12,13)(H,14,15).
What are the key properties of 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylic acid?
3-(4-fluorophenyl)-1H-pyrazole-5-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 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 940540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).