2-methyl-3-[1-methyl-4-(4-methylphenyl)pyrazol-3-yl]propanoic acid

C15H18N2O2 — CID 105423796

IUPAC2-methyl-3-[1-methyl-4-(4-methylphenyl)pyrazol-3-yl]propanoic acid
SMILESCc1ccc(-c2cn(C)nc2CC(C)C(=O)O)cc1
InChIInChI=1S/C15H18N2O2/c1-10-4-6-12(7-5-10)13-9-17(3)16-14(13)8-11(2)15(18)19/h4-7,9,11H,8H2,1-3H3,(H,18,19)
InChIKeyBPYMJZVHAKNAGE-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.66
Rot. Bonds4

About 2-methyl-3-[1-methyl-4-(4-methylphenyl)pyrazol-3-yl]propanoic acid

2-methyl-3-[1-methyl-4-(4-methylphenyl)pyrazol-3-yl]propanoic acid (PubChem CID 105423796) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-methyl-3-[1-methyl-4-(4-methylphenyl)pyrazol-3-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[1-methyl-4-(4-methylphenyl)pyrazol-3-yl]propanoic acid
PubChem CID105423796
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-methyl-3-[1-methyl-4-(4-methylphenyl)pyrazol-3-yl]propanoic acid
SMILESCc1ccc(-c2cn(C)nc2CC(C)C(=O)O)cc1
InChIInChI=1S/C15H18N2O2/c1-10-4-6-12(7-5-10)13-9-17(3)16-14(13)8-11(2)15(18)19/h4-7,9,11H,8H2,1-3H3,(H,18,19)
InChIKeyBPYMJZVHAKNAGE-UHFFFAOYSA-N
XLogP2.66
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-3-[1-methyl-4-(4-methylphenyl)pyrazol-3-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-methyl-3-[1-methyl-4-(4-methylphenyl)pyrazol-3-yl]propanoic acid?
The IUPAC name of 2-methyl-3-[1-methyl-4-(4-methylphenyl)pyrazol-3-yl]propanoic acid (CID 105423796) is 2-methyl-3-[1-methyl-4-(4-methylphenyl)pyrazol-3-yl]propanoic acid.
What is the SMILES notation for 2-methyl-3-[1-methyl-4-(4-methylphenyl)pyrazol-3-yl]propanoic acid?
The canonical SMILES for 2-methyl-3-[1-methyl-4-(4-methylphenyl)pyrazol-3-yl]propanoic acid is Cc1ccc(-c2cn(C)nc2CC(C)C(=O)O)cc1.
What is the InChIKey of 2-methyl-3-[1-methyl-4-(4-methylphenyl)pyrazol-3-yl]propanoic acid?
The InChIKey is BPYMJZVHAKNAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10-4-6-12(7-5-10)13-9-17(3)16-14(13)8-11(2)15(18)19/h4-7,9,11H,8H2,1-3H3,(H,18,19).
What are the key properties of 2-methyl-3-[1-methyl-4-(4-methylphenyl)pyrazol-3-yl]propanoic acid?
2-methyl-3-[1-methyl-4-(4-methylphenyl)pyrazol-3-yl]propanoic acid has a molecular weight of 258.32 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[1-methyl-4-(4-methylphenyl)pyrazol-3-yl]propanoic acid is sourced from PubChem (CID 105423796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).