5-[3-cyclopropyl-5-(4-fluorophenyl)pyrazol-1-yl]-2-fluorobenzoic acid

C19H14F2N2O2 — CID 166327495

IUPAC5-[3-cyclopropyl-5-(4-fluorophenyl)pyrazol-1-yl]-2-fluorobenzoic acid
SMILESO=C(O)c1cc(-n2nc(C3CC3)cc2-c2ccc(F)cc2)ccc1F
InChIInChI=1S/C19H14F2N2O2/c20-13-5-3-12(4-6-13)18-10-17(11-1-2-11)22-23(18)14-7-8-16(21)15(9-14)19(24)25/h3-11H,1-2H2,(H,24,25)
InChIKeySKXADSZSQUVHFH-UHFFFAOYSA-N
MW340.33 g/mol
LogP4.39
Rot. Bonds4

About 5-[3-cyclopropyl-5-(4-fluorophenyl)pyrazol-1-yl]-2-fluorobenzoic acid

5-[3-cyclopropyl-5-(4-fluorophenyl)pyrazol-1-yl]-2-fluorobenzoic acid (PubChem CID 166327495) has the molecular formula C19H14F2N2O2 and a molecular weight of 340.33 g/mol. Its IUPAC name is 5-[3-cyclopropyl-5-(4-fluorophenyl)pyrazol-1-yl]-2-fluorobenzoic acid.

Molecular Properties

Compound Name5-[3-cyclopropyl-5-(4-fluorophenyl)pyrazol-1-yl]-2-fluorobenzoic acid
PubChem CID166327495
Molecular FormulaC19H14F2N2O2
Molecular Weight340.33 g/mol
Exact Mass340.10
IUPAC Name5-[3-cyclopropyl-5-(4-fluorophenyl)pyrazol-1-yl]-2-fluorobenzoic acid
SMILESO=C(O)c1cc(-n2nc(C3CC3)cc2-c2ccc(F)cc2)ccc1F
InChIInChI=1S/C19H14F2N2O2/c20-13-5-3-12(4-6-13)18-10-17(11-1-2-11)22-23(18)14-7-8-16(21)15(9-14)19(24)25/h3-11H,1-2H2,(H,24,25)
InChIKeySKXADSZSQUVHFH-UHFFFAOYSA-N
XLogP4.39
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-1-(4-fluorophenyl)pyrazole-5-carboxylic acid
CID 82376267
2-[3-cyclopropyl-1-(4-fluorophenyl)pyrazol-5-yl]sulfanylacetic acid
CID 63354270
(4-fluorophenyl) 3-cyclopropyl-1-phenylpyrazole-5-carboxylate
CID 16557038
N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 55551550
5-chloro-4-[3-cyclopropyl-5-(4-fluorophenyl)pyrazol-1-yl]pyrimidine
CID 167977507
6-cyclopropyl-3-oxo-2-phenylpyridazine-4-carboxylic acid
CID 130447771
4-(1,5-diphenylpyrazol-3-yl)-N-hydroxy-N-methylpiperidine-1-carboxamide
CID 59486701
[5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]-piperazin-1-ylmethanone
CID 45276620
2-fluoro-5-pyrrolidin-1-ylbenzoic acid
CID 15372186
1-[5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]piperidin-4-one
CID 45276937
N-hydroxy-4-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]-N-propan-2-ylpiperidine-1-carboxamide
CID 59486572
5-(azepan-1-yl)-2-fluorobenzoic acid
CID 79694518

Frequently Asked Questions

What is the IUPAC name of 5-[3-cyclopropyl-5-(4-fluorophenyl)pyrazol-1-yl]-2-fluorobenzoic acid?
The IUPAC name of 5-[3-cyclopropyl-5-(4-fluorophenyl)pyrazol-1-yl]-2-fluorobenzoic acid (CID 166327495) is 5-[3-cyclopropyl-5-(4-fluorophenyl)pyrazol-1-yl]-2-fluorobenzoic acid.
What is the SMILES notation for 5-[3-cyclopropyl-5-(4-fluorophenyl)pyrazol-1-yl]-2-fluorobenzoic acid?
The canonical SMILES for 5-[3-cyclopropyl-5-(4-fluorophenyl)pyrazol-1-yl]-2-fluorobenzoic acid is O=C(O)c1cc(-n2nc(C3CC3)cc2-c2ccc(F)cc2)ccc1F.
What is the InChIKey of 5-[3-cyclopropyl-5-(4-fluorophenyl)pyrazol-1-yl]-2-fluorobenzoic acid?
The InChIKey is SKXADSZSQUVHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N2O2/c20-13-5-3-12(4-6-13)18-10-17(11-1-2-11)22-23(18)14-7-8-16(21)15(9-14)19(24)25/h3-11H,1-2H2,(H,24,25).
What are the key properties of 5-[3-cyclopropyl-5-(4-fluorophenyl)pyrazol-1-yl]-2-fluorobenzoic acid?
5-[3-cyclopropyl-5-(4-fluorophenyl)pyrazol-1-yl]-2-fluorobenzoic acid has a molecular weight of 340.33 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-cyclopropyl-5-(4-fluorophenyl)pyrazol-1-yl]-2-fluorobenzoic acid is sourced from PubChem (CID 166327495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).