3-methyl-2-(4-phenylpyrazol-1-yl)butanoic acid

C14H16N2O2 — CID 62771313

IUPAC3-methyl-2-(4-phenylpyrazol-1-yl)butanoic acid
SMILESCC(C)C(C(=O)O)n1cc(-c2ccccc2)cn1
InChIInChI=1S/C14H16N2O2/c1-10(2)13(14(17)18)16-9-12(8-15-16)11-6-4-3-5-7-11/h3-10,13H,1-2H3,(H,17,18)
InChIKeyFOSHQWSHXDGXTB-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.83
Rot. Bonds4

About 3-methyl-2-(4-phenylpyrazol-1-yl)butanoic acid

3-methyl-2-(4-phenylpyrazol-1-yl)butanoic acid (PubChem CID 62771313) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-methyl-2-(4-phenylpyrazol-1-yl)butanoic acid.

Molecular Properties

Compound Name3-methyl-2-(4-phenylpyrazol-1-yl)butanoic acid
PubChem CID62771313
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name3-methyl-2-(4-phenylpyrazol-1-yl)butanoic acid
SMILESCC(C)C(C(=O)O)n1cc(-c2ccccc2)cn1
InChIInChI=1S/C14H16N2O2/c1-10(2)13(14(17)18)16-9-12(8-15-16)11-6-4-3-5-7-11/h3-10,13H,1-2H3,(H,17,18)
InChIKeyFOSHQWSHXDGXTB-UHFFFAOYSA-N
XLogP2.83
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-2-(4-phenylpyrazol-1-yl)butanoic 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

(2S)-2-(4-phenylpyrazol-1-yl)-N-propylpropanamide
CID 100830723
4-(4-phenylpyrazol-1-yl)pentanoic acid
CID 62772191
ethyl 2-fluoro-2-(4-phenylpyrazol-1-yl)acetate
CID 81298287
2-(4-phenylpyrazol-1-yl)propanenitrile
CID 62772199
ethyl 2-(4-phenylpyrazol-1-yl)pentanoate
CID 83037837
(2S)-2-[4-(4-fluorophenyl)pyrazol-1-yl]propanoic acid
CID 97034160
2-[4-(2-fluorophenyl)pyrazol-1-yl]propanoic acid
CID 102547350
(2R)-N-(4-methylphenyl)-2-(4-phenylpyrazol-1-yl)propanamide
CID 124938415
(2S)-2-[4-(3-chlorophenyl)pyrazol-1-yl]propanoic acid
CID 97034148
(2R)-2-[4-(3-fluorophenyl)pyrazol-1-yl]propanoic acid
CID 97034163
2-indazol-2-yl-3-methylbutanoic acid
CID 50986535
4,4,4-trifluoro-3-(4-phenylpyrazol-1-yl)butanoic acid
CID 63073223

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(4-phenylpyrazol-1-yl)butanoic acid?
The IUPAC name of 3-methyl-2-(4-phenylpyrazol-1-yl)butanoic acid (CID 62771313) is 3-methyl-2-(4-phenylpyrazol-1-yl)butanoic acid.
What is the SMILES notation for 3-methyl-2-(4-phenylpyrazol-1-yl)butanoic acid?
The canonical SMILES for 3-methyl-2-(4-phenylpyrazol-1-yl)butanoic acid is CC(C)C(C(=O)O)n1cc(-c2ccccc2)cn1.
What is the InChIKey of 3-methyl-2-(4-phenylpyrazol-1-yl)butanoic acid?
The InChIKey is FOSHQWSHXDGXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-10(2)13(14(17)18)16-9-12(8-15-16)11-6-4-3-5-7-11/h3-10,13H,1-2H3,(H,17,18).
What are the key properties of 3-methyl-2-(4-phenylpyrazol-1-yl)butanoic acid?
3-methyl-2-(4-phenylpyrazol-1-yl)butanoic acid has a molecular weight of 244.29 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(4-phenylpyrazol-1-yl)butanoic acid is sourced from PubChem (CID 62771313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).