3-[2-(2-fluoropropyl)phenyl]-1H-pyrazole-5-carboxylic acid

C13H13FN2O2 — CID 117373132

IUPAC3-[2-(2-fluoropropyl)phenyl]-1H-pyrazole-5-carboxylic acid
SMILESCC(F)Cc1ccccc1-c1cc(C(=O)O)[nH]n1
InChIInChI=1S/C13H13FN2O2/c1-8(14)6-9-4-2-3-5-10(9)11-7-12(13(17)18)16-15-11/h2-5,7-8H,6H2,1H3,(H,15,16)(H,17,18)
InChIKeyGRIBWLJTSWOLCT-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.68
Rot. Bonds4

About 3-[2-(2-fluoropropyl)phenyl]-1H-pyrazole-5-carboxylic acid

3-[2-(2-fluoropropyl)phenyl]-1H-pyrazole-5-carboxylic acid (PubChem CID 117373132) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is 3-[2-(2-fluoropropyl)phenyl]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[2-(2-fluoropropyl)phenyl]-1H-pyrazole-5-carboxylic acid
PubChem CID117373132
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name3-[2-(2-fluoropropyl)phenyl]-1H-pyrazole-5-carboxylic acid
SMILESCC(F)Cc1ccccc1-c1cc(C(=O)O)[nH]n1
InChIInChI=1S/C13H13FN2O2/c1-8(14)6-9-4-2-3-5-10(9)11-7-12(13(17)18)16-15-11/h2-5,7-8H,6H2,1H3,(H,15,16)(H,17,18)
InChIKeyGRIBWLJTSWOLCT-UHFFFAOYSA-N
XLogP2.68
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[2-(2-fluoropropyl)phenyl]-1H-pyrazole-5-carboxylic 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

3-[2-(2-hydroxy-2-methylpropyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 115111275
3-[2-(piperidin-1-ylmethyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 117459649
3-[2-(1-methoxyethyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 115111272
3-(2-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 83395825
3-[2-(2-methylprop-2-enoxy)phenyl]-1H-pyrazole-5-carboxylic acid
CID 117399111
3-(2-propan-2-yl-1,3-benzothiazol-4-yl)-1H-pyrazole-5-carboxylic acid
CID 117463639
3-[4-(2,2-difluoroethyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 117383204
3-(5-fluoro-2-methylsulfanylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117383381
3-[2-[carbamoyl(methyl)amino]phenyl]-1H-pyrazole-5-carboxylic acid
CID 117404430
3-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 64592198
3-(2,3-dichlorophenyl)-1H-pyrazole-5-carboxylic acid
CID 83395870
3-(2-hydroxy-5-propan-2-ylphenyl)-1H-pyrazole-5-carboxylic acid
CID 137011554

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-fluoropropyl)phenyl]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-[2-(2-fluoropropyl)phenyl]-1H-pyrazole-5-carboxylic acid (CID 117373132) is 3-[2-(2-fluoropropyl)phenyl]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[2-(2-fluoropropyl)phenyl]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-[2-(2-fluoropropyl)phenyl]-1H-pyrazole-5-carboxylic acid is CC(F)Cc1ccccc1-c1cc(C(=O)O)[nH]n1.
What is the InChIKey of 3-[2-(2-fluoropropyl)phenyl]-1H-pyrazole-5-carboxylic acid?
The InChIKey is GRIBWLJTSWOLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c1-8(14)6-9-4-2-3-5-10(9)11-7-12(13(17)18)16-15-11/h2-5,7-8H,6H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 3-[2-(2-fluoropropyl)phenyl]-1H-pyrazole-5-carboxylic acid?
3-[2-(2-fluoropropyl)phenyl]-1H-pyrazole-5-carboxylic acid has a molecular weight of 248.26 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-fluoropropyl)phenyl]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 117373132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).