2-(4-methylphenyl)-3-(1-methylpyrazol-3-yl)propanoic acid

C14H16N2O2 — CID 82870176

IUPAC2-(4-methylphenyl)-3-(1-methylpyrazol-3-yl)propanoic acid
SMILESCc1ccc(C(Cc2ccn(C)n2)C(=O)O)cc1
InChIInChI=1S/C14H16N2O2/c1-10-3-5-11(6-4-10)13(14(17)18)9-12-7-8-16(2)15-12/h3-8,13H,9H2,1-2H3,(H,17,18)
InChIKeyVGZLZLAZEVGELP-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.14
Rot. Bonds4

About 2-(4-methylphenyl)-3-(1-methylpyrazol-3-yl)propanoic acid

2-(4-methylphenyl)-3-(1-methylpyrazol-3-yl)propanoic acid (PubChem CID 82870176) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-(4-methylphenyl)-3-(1-methylpyrazol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(4-methylphenyl)-3-(1-methylpyrazol-3-yl)propanoic acid
PubChem CID82870176
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-(4-methylphenyl)-3-(1-methylpyrazol-3-yl)propanoic acid
SMILESCc1ccc(C(Cc2ccn(C)n2)C(=O)O)cc1
InChIInChI=1S/C14H16N2O2/c1-10-3-5-11(6-4-10)13(14(17)18)9-12-7-8-16(2)15-12/h3-8,13H,9H2,1-2H3,(H,17,18)
InChIKeyVGZLZLAZEVGELP-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)-3-(1-methylpyrazol-3-yl)propanoic acid
CID 82868711
2,3-dimethyl-4-(1-methylpyrazol-3-yl)butanoic acid
CID 82882518
2-(3-methylphenyl)-3-[1-(4-methylphenyl)pyrazol-3-yl]propanoic acid
CID 142851704
3-[(1-methylpyrazol-3-yl)methylamino]-2-phenylpropanoic acid
CID 82881676
1-(4-methylphenyl)-3-(1-methylpyrazol-3-yl)propan-2-one
CID 82870110
2-(4-ethylphenyl)-3-(4-methylphenyl)propanoic acid
CID 82092601
3-(2,5-dimethylphenyl)-2-(4-methylphenyl)propanoic acid
CID 79435899
3-[4-(hydroxymethyl)phenyl]-2-(4-methylphenyl)propanoic acid
CID 82160685
2-(4-methylphenyl)-3-(1-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 82871414
(2S)-3-chloro-2-(4-methylphenyl)propanoic acid
CID 54042500
2-(4-methylphenyl)-3-(3-methyl-2-pyridinyl)propanoic acid
CID 112650926
1-(2,4-dimethylphenyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 82869812

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-3-(1-methylpyrazol-3-yl)propanoic acid?
The IUPAC name of 2-(4-methylphenyl)-3-(1-methylpyrazol-3-yl)propanoic acid (CID 82870176) is 2-(4-methylphenyl)-3-(1-methylpyrazol-3-yl)propanoic acid.
What is the SMILES notation for 2-(4-methylphenyl)-3-(1-methylpyrazol-3-yl)propanoic acid?
The canonical SMILES for 2-(4-methylphenyl)-3-(1-methylpyrazol-3-yl)propanoic acid is Cc1ccc(C(Cc2ccn(C)n2)C(=O)O)cc1.
What is the InChIKey of 2-(4-methylphenyl)-3-(1-methylpyrazol-3-yl)propanoic acid?
The InChIKey is VGZLZLAZEVGELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-10-3-5-11(6-4-10)13(14(17)18)9-12-7-8-16(2)15-12/h3-8,13H,9H2,1-2H3,(H,17,18).
What are the key properties of 2-(4-methylphenyl)-3-(1-methylpyrazol-3-yl)propanoic acid?
2-(4-methylphenyl)-3-(1-methylpyrazol-3-yl)propanoic acid has a molecular weight of 244.29 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-3-(1-methylpyrazol-3-yl)propanoic acid is sourced from PubChem (CID 82870176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).