3-(4-fluoropyrazol-1-yl)benzoic acid

C10H7FN2O2 — CID 135296191

IUPAC3-(4-fluoropyrazol-1-yl)benzoic acid
SMILESO=C(O)c1cccc(-n2cc(F)cn2)c1
InChIInChI=1S/C10H7FN2O2/c11-8-5-12-13(6-8)9-3-1-2-7(4-9)10(14)15/h1-6H,(H,14,15)
InChIKeySHCWPLLRUFCIBH-UHFFFAOYSA-N
MW206.18 g/mol
LogP1.71
Rot. Bonds2

About 3-(4-fluoropyrazol-1-yl)benzoic acid

3-(4-fluoropyrazol-1-yl)benzoic acid (PubChem CID 135296191) has the molecular formula C10H7FN2O2 and a molecular weight of 206.18 g/mol. Its IUPAC name is 3-(4-fluoropyrazol-1-yl)benzoic acid.

Molecular Properties

Compound Name3-(4-fluoropyrazol-1-yl)benzoic acid
PubChem CID135296191
Molecular FormulaC10H7FN2O2
Molecular Weight206.18 g/mol
Exact Mass206.05
IUPAC Name3-(4-fluoropyrazol-1-yl)benzoic acid
SMILESO=C(O)c1cccc(-n2cc(F)cn2)c1
InChIInChI=1S/C10H7FN2O2/c11-8-5-12-13(6-8)9-3-1-2-7(4-9)10(14)15/h1-6H,(H,14,15)
InChIKeySHCWPLLRUFCIBH-UHFFFAOYSA-N
XLogP1.71
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.18
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chloropyrazol-1-yl)benzoic acid
CID 63942478
3-(4-propan-2-ylpyrazol-1-yl)benzoic acid
CID 84793615
3-[4-(4-methylphenyl)pyrazol-1-yl]benzoic acid
CID 11558186
3-[4-(3-fluoro-4-methylphenyl)pyrazol-1-yl]benzoic acid
CID 118404836
3-[4-(2-fluoro-4-methylphenyl)pyrazol-1-yl]benzoic acid
CID 118404797
1-(3-tert-butylphenyl)-4-fluoropyrazole
CID 146480289
1-(3-methoxycarbonylphenyl)pyrazole-4-carboxylic acid
CID 18613364
3-[1-(3-hydroxyphenyl)pyrazol-4-yl]benzoic acid
CID 67506851
3-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]benzoic acid
CID 58156960
3-[4-(diethoxymethyl)pyrazol-1-yl]benzoic acid
CID 16770342
4-fluoro-1-(3-nitrophenyl)pyrazole
CID 134957783
ethane;3-(1,2,4-triazol-1-yl)benzoic acid
CID 168912092

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoropyrazol-1-yl)benzoic acid?
The IUPAC name of 3-(4-fluoropyrazol-1-yl)benzoic acid (CID 135296191) is 3-(4-fluoropyrazol-1-yl)benzoic acid.
What is the SMILES notation for 3-(4-fluoropyrazol-1-yl)benzoic acid?
The canonical SMILES for 3-(4-fluoropyrazol-1-yl)benzoic acid is O=C(O)c1cccc(-n2cc(F)cn2)c1.
What is the InChIKey of 3-(4-fluoropyrazol-1-yl)benzoic acid?
The InChIKey is SHCWPLLRUFCIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O2/c11-8-5-12-13(6-8)9-3-1-2-7(4-9)10(14)15/h1-6H,(H,14,15).
What are the key properties of 3-(4-fluoropyrazol-1-yl)benzoic acid?
3-(4-fluoropyrazol-1-yl)benzoic acid has a molecular weight of 206.18 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoropyrazol-1-yl)benzoic acid is sourced from PubChem (CID 135296191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).