2-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanoic acid

C15H17FN2O2 — CID 63275185

IUPAC2-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanoic acid
SMILESCc1nn(Cc2ccc(F)cc2)c(C)c1C(C)C(=O)O
InChIInChI=1S/C15H17FN2O2/c1-9(15(19)20)14-10(2)17-18(11(14)3)8-12-4-6-13(16)7-5-12/h4-7,9H,8H2,1-3H3,(H,19,20)
InChIKeyDBYQDMFATYOBEP-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.88
Rot. Bonds4

About 2-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanoic acid

2-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanoic acid (PubChem CID 63275185) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 2-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanoic acid
PubChem CID63275185
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name2-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanoic acid
SMILESCc1nn(Cc2ccc(F)cc2)c(C)c1C(C)C(=O)O
InChIInChI=1S/C15H17FN2O2/c1-9(15(19)20)14-10(2)17-18(11(14)3)8-12-4-6-13(16)7-5-12/h4-7,9H,8H2,1-3H3,(H,19,20)
InChIKeyDBYQDMFATYOBEP-UHFFFAOYSA-N
XLogP2.88
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanoic acid?
The IUPAC name of 2-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanoic acid (CID 63275185) is 2-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanoic acid.
What is the SMILES notation for 2-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanoic acid?
The canonical SMILES for 2-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanoic acid is Cc1nn(Cc2ccc(F)cc2)c(C)c1C(C)C(=O)O.
What is the InChIKey of 2-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanoic acid?
The InChIKey is DBYQDMFATYOBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-9(15(19)20)14-10(2)17-18(11(14)3)8-12-4-6-13(16)7-5-12/h4-7,9H,8H2,1-3H3,(H,19,20).
What are the key properties of 2-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanoic acid?
2-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanoic acid has a molecular weight of 276.31 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanoic acid is sourced from PubChem (CID 63275185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).