2-[(2-methylphenyl)methyl]-4-(2-methylpyrazol-3-yl)butanoic acid

C16H20N2O2 — CID 103005013

IUPAC2-[(2-methylphenyl)methyl]-4-(2-methylpyrazol-3-yl)butanoic acid
SMILESCc1ccccc1CC(CCc1ccnn1C)C(=O)O
InChIInChI=1S/C16H20N2O2/c1-12-5-3-4-6-13(12)11-14(16(19)20)7-8-15-9-10-17-18(15)2/h3-6,9-10,14H,7-8,11H2,1-2H3,(H,19,20)
InChIKeySTYFZCPGNFPWHZ-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.60
Rot. Bonds6

About 2-[(2-methylphenyl)methyl]-4-(2-methylpyrazol-3-yl)butanoic acid

2-[(2-methylphenyl)methyl]-4-(2-methylpyrazol-3-yl)butanoic acid (PubChem CID 103005013) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[(2-methylphenyl)methyl]-4-(2-methylpyrazol-3-yl)butanoic acid.

Molecular Properties

Compound Name2-[(2-methylphenyl)methyl]-4-(2-methylpyrazol-3-yl)butanoic acid
PubChem CID103005013
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-[(2-methylphenyl)methyl]-4-(2-methylpyrazol-3-yl)butanoic acid
SMILESCc1ccccc1CC(CCc1ccnn1C)C(=O)O
InChIInChI=1S/C16H20N2O2/c1-12-5-3-4-6-13(12)11-14(16(19)20)7-8-15-9-10-17-18(15)2/h3-6,9-10,14H,7-8,11H2,1-2H3,(H,19,20)
InChIKeySTYFZCPGNFPWHZ-UHFFFAOYSA-N
XLogP2.60
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2-methylphenyl)methyl]-4-(2-methylpyrazol-3-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

2-[(2-methylphenyl)methyl]-4-pyridin-3-ylbutanoic acid
CID 79418739
2-methyl-4-(2-methylpyrazol-3-yl)butanoic acid
CID 103005024
N-ethyl-1-(2-methylphenyl)-5-(2-methylpyrazol-3-yl)pentan-3-amine
CID 103030444
2-(hydroxymethyl)-3-(2-methylphenyl)propanoic acid
CID 22418915
5-fluoro-2-[(2-methylphenyl)methyl]pentanoic acid
CID 81113888
2-[(2-methylpyrazol-3-yl)methyl]butanoic acid
CID 83828502
2-[(2-methylphenyl)methyl]-3-pyridin-2-ylpropanoic acid
CID 79418895
2-[(2-methylphenyl)methyl]-4-phenylsulfanylbutanoic acid
CID 79227289
5-ethylsulfonyl-2-[(2-methylphenyl)methyl]pentanoic acid
CID 65098146
2-[(4-iodophenyl)methyl]-3-(2-methylphenyl)propanoic acid
CID 65477849
2-[(2-methylphenyl)methyl]-3-pyridin-3-ylpropanoic acid
CID 79418162
3-(2-methylpyrazol-3-yl)-1-(3-methyl-2-pyridinyl)propan-1-ol
CID 103008060

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)methyl]-4-(2-methylpyrazol-3-yl)butanoic acid?
The IUPAC name of 2-[(2-methylphenyl)methyl]-4-(2-methylpyrazol-3-yl)butanoic acid (CID 103005013) is 2-[(2-methylphenyl)methyl]-4-(2-methylpyrazol-3-yl)butanoic acid.
What is the SMILES notation for 2-[(2-methylphenyl)methyl]-4-(2-methylpyrazol-3-yl)butanoic acid?
The canonical SMILES for 2-[(2-methylphenyl)methyl]-4-(2-methylpyrazol-3-yl)butanoic acid is Cc1ccccc1CC(CCc1ccnn1C)C(=O)O.
What is the InChIKey of 2-[(2-methylphenyl)methyl]-4-(2-methylpyrazol-3-yl)butanoic acid?
The InChIKey is STYFZCPGNFPWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12-5-3-4-6-13(12)11-14(16(19)20)7-8-15-9-10-17-18(15)2/h3-6,9-10,14H,7-8,11H2,1-2H3,(H,19,20).
What are the key properties of 2-[(2-methylphenyl)methyl]-4-(2-methylpyrazol-3-yl)butanoic acid?
2-[(2-methylphenyl)methyl]-4-(2-methylpyrazol-3-yl)butanoic acid has a molecular weight of 272.35 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)methyl]-4-(2-methylpyrazol-3-yl)butanoic acid is sourced from PubChem (CID 103005013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).