4-[(3-cyclopropylpyrazol-1-yl)methyl]-2-fluorobenzoic acid

C14H13FN2O2 — CID 106698875

IUPAC4-[(3-cyclopropylpyrazol-1-yl)methyl]-2-fluorobenzoic acid
SMILESO=C(O)c1ccc(Cn2ccc(C3CC3)n2)cc1F
InChIInChI=1S/C14H13FN2O2/c15-12-7-9(1-4-11(12)14(18)19)8-17-6-5-13(16-17)10-2-3-10/h1,4-7,10H,2-3,8H2,(H,18,19)
InChIKeyVPRBXYLHLUFPGQ-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.65
Rot. Bonds4

About 4-[(3-cyclopropylpyrazol-1-yl)methyl]-2-fluorobenzoic acid

4-[(3-cyclopropylpyrazol-1-yl)methyl]-2-fluorobenzoic acid (PubChem CID 106698875) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is 4-[(3-cyclopropylpyrazol-1-yl)methyl]-2-fluorobenzoic acid.

Molecular Properties

Compound Name4-[(3-cyclopropylpyrazol-1-yl)methyl]-2-fluorobenzoic acid
PubChem CID106698875
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name4-[(3-cyclopropylpyrazol-1-yl)methyl]-2-fluorobenzoic acid
SMILESO=C(O)c1ccc(Cn2ccc(C3CC3)n2)cc1F
InChIInChI=1S/C14H13FN2O2/c15-12-7-9(1-4-11(12)14(18)19)8-17-6-5-13(16-17)10-2-3-10/h1,4-7,10H,2-3,8H2,(H,18,19)
InChIKeyVPRBXYLHLUFPGQ-UHFFFAOYSA-N
XLogP2.65
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(3-cyclopropylpyrazol-1-yl)methyl]-2-fluorobenzoic 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

2-fluoro-4-[(3-hydroxypyrrolidin-1-yl)methyl]benzoic acid
CID 106699274
5-[(3-cyclopropylpyrazol-1-yl)methyl]furan-2-carboxylic acid
CID 64778183
4-[(3-cyclopropylpyrazol-1-yl)methyl]benzohydrazide
CID 64778361
4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-fluorobenzoic acid
CID 106699160
methyl 4-[(3-cyclopropylpyrazol-1-yl)methyl]benzoate
CID 64778175
2-[3-[(3R)-1-(2,4-difluorobenzoyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126440008
3-[(3-cyclopropylpyrazol-1-yl)methyl]thiophene-2-carboxylic acid
CID 64778166
4-[(3-cyclopropylpyrazol-1-yl)methyl]-5-methylthiophene-2-carboxylic acid
CID 80730002
2-fluoro-4-[(2-oxopiperidin-1-yl)methyl]benzoic acid
CID 106698788
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-2-fluorobenzoic acid
CID 106699329
4-[(3-acetamidopyrrolidin-1-yl)methyl]-2-fluorobenzoic acid
CID 106699396
2-fluoro-4-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]benzoic acid
CID 106698772

Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyclopropylpyrazol-1-yl)methyl]-2-fluorobenzoic acid?
The IUPAC name of 4-[(3-cyclopropylpyrazol-1-yl)methyl]-2-fluorobenzoic acid (CID 106698875) is 4-[(3-cyclopropylpyrazol-1-yl)methyl]-2-fluorobenzoic acid.
What is the SMILES notation for 4-[(3-cyclopropylpyrazol-1-yl)methyl]-2-fluorobenzoic acid?
The canonical SMILES for 4-[(3-cyclopropylpyrazol-1-yl)methyl]-2-fluorobenzoic acid is O=C(O)c1ccc(Cn2ccc(C3CC3)n2)cc1F.
What is the InChIKey of 4-[(3-cyclopropylpyrazol-1-yl)methyl]-2-fluorobenzoic acid?
The InChIKey is VPRBXYLHLUFPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c15-12-7-9(1-4-11(12)14(18)19)8-17-6-5-13(16-17)10-2-3-10/h1,4-7,10H,2-3,8H2,(H,18,19).
What are the key properties of 4-[(3-cyclopropylpyrazol-1-yl)methyl]-2-fluorobenzoic acid?
4-[(3-cyclopropylpyrazol-1-yl)methyl]-2-fluorobenzoic acid has a molecular weight of 260.27 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyclopropylpyrazol-1-yl)methyl]-2-fluorobenzoic acid is sourced from PubChem (CID 106698875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).