1-[1-(4-fluorophenyl)pyrazol-3-yl]cyclopropane-1-carboxylic acid

C13H11FN2O2 — CID 116818347

IUPAC1-[1-(4-fluorophenyl)pyrazol-3-yl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2ccn(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C13H11FN2O2/c14-9-1-3-10(4-2-9)16-8-5-11(15-16)13(6-7-13)12(17)18/h1-5,8H,6-7H2,(H,17,18)
InChIKeyXIGVRAKGDKPJQG-UHFFFAOYSA-N
MW246.24 g/mol
LogP2.13
Rot. Bonds3

About 1-[1-(4-fluorophenyl)pyrazol-3-yl]cyclopropane-1-carboxylic acid

1-[1-(4-fluorophenyl)pyrazol-3-yl]cyclopropane-1-carboxylic acid (PubChem CID 116818347) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)pyrazol-3-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)pyrazol-3-yl]cyclopropane-1-carboxylic acid
PubChem CID116818347
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC Name1-[1-(4-fluorophenyl)pyrazol-3-yl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2ccn(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C13H11FN2O2/c14-9-1-3-10(4-2-9)16-8-5-11(15-16)13(6-7-13)12(17)18/h1-5,8H,6-7H2,(H,17,18)
InChIKeyXIGVRAKGDKPJQG-UHFFFAOYSA-N
XLogP2.13
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(3-bromophenyl)pyrazol-3-yl]cyclobutane-1-carboxylic acid
CID 116818372
1-(4-fluorophenyl)-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 135315796
N-[1-(4-fluorophenyl)pyrazol-3-yl]-1-pyrimidin-2-ylcyclopropane-1-carboxamide
CID 134596341
1-(4-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 134596195
1-[4-bromo-1-(4-fluorophenyl)pyrazole-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119257612
[1-(4-fluorophenyl)pyrazol-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119400312
[3-benzoyl-1-(4-fluorophenyl)pyrazol-4-yl]-phenylmethanone
CID 175118689
1-[1-(4-fluorophenyl)pyrazole-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119355330
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(4-fluorophenyl)pyrazol-3-yl]methanone
CID 120804017
N-cyclooctyl-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38701604
N-[1-(5-fluoro-3-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide
CID 134589086
4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid
CID 59527745

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)pyrazol-3-yl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[1-(4-fluorophenyl)pyrazol-3-yl]cyclopropane-1-carboxylic acid (CID 116818347) is 1-[1-(4-fluorophenyl)pyrazol-3-yl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[1-(4-fluorophenyl)pyrazol-3-yl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[1-(4-fluorophenyl)pyrazol-3-yl]cyclopropane-1-carboxylic acid is O=C(O)C1(c2ccn(-c3ccc(F)cc3)n2)CC1.
What is the InChIKey of 1-[1-(4-fluorophenyl)pyrazol-3-yl]cyclopropane-1-carboxylic acid?
The InChIKey is XIGVRAKGDKPJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c14-9-1-3-10(4-2-9)16-8-5-11(15-16)13(6-7-13)12(17)18/h1-5,8H,6-7H2,(H,17,18).
What are the key properties of 1-[1-(4-fluorophenyl)pyrazol-3-yl]cyclopropane-1-carboxylic acid?
1-[1-(4-fluorophenyl)pyrazol-3-yl]cyclopropane-1-carboxylic acid has a molecular weight of 246.24 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)pyrazol-3-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 116818347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).