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

C15H18N2O2 — CID 167793509

IUPAC2-methyl-3-(2-methylphenyl)-2-(4-methylpyrazol-1-yl)propanoic acid
SMILESCc1cnn(C(C)(Cc2ccccc2C)C(=O)O)c1
InChIInChI=1S/C15H18N2O2/c1-11-9-16-17(10-11)15(3,14(18)19)8-13-7-5-4-6-12(13)2/h4-7,9-10H,8H2,1-3H3,(H,18,19)
InChIKeyBNQICOIJTNPAEV-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.54
Rot. Bonds4

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

2-methyl-3-(2-methylphenyl)-2-(4-methylpyrazol-1-yl)propanoic acid (PubChem CID 167793509) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-methyl-3-(2-methylphenyl)-2-(4-methylpyrazol-1-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(2-methylphenyl)-2-(4-methylpyrazol-1-yl)propanoic acid
PubChem CID167793509
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-methyl-3-(2-methylphenyl)-2-(4-methylpyrazol-1-yl)propanoic acid
SMILESCc1cnn(C(C)(Cc2ccccc2C)C(=O)O)c1
InChIInChI=1S/C15H18N2O2/c1-11-9-16-17(10-11)15(3,14(18)19)8-13-7-5-4-6-12(13)2/h4-7,9-10H,8H2,1-3H3,(H,18,19)
InChIKeyBNQICOIJTNPAEV-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methylphenyl)-2-(4-methylpyrazol-1-yl)propanoic acid?
The IUPAC name of 2-methyl-3-(2-methylphenyl)-2-(4-methylpyrazol-1-yl)propanoic acid (CID 167793509) is 2-methyl-3-(2-methylphenyl)-2-(4-methylpyrazol-1-yl)propanoic acid.
What is the SMILES notation for 2-methyl-3-(2-methylphenyl)-2-(4-methylpyrazol-1-yl)propanoic acid?
The canonical SMILES for 2-methyl-3-(2-methylphenyl)-2-(4-methylpyrazol-1-yl)propanoic acid is Cc1cnn(C(C)(Cc2ccccc2C)C(=O)O)c1.
What is the InChIKey of 2-methyl-3-(2-methylphenyl)-2-(4-methylpyrazol-1-yl)propanoic acid?
The InChIKey is BNQICOIJTNPAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11-9-16-17(10-11)15(3,14(18)19)8-13-7-5-4-6-12(13)2/h4-7,9-10H,8H2,1-3H3,(H,18,19).
What are the key properties of 2-methyl-3-(2-methylphenyl)-2-(4-methylpyrazol-1-yl)propanoic acid?
2-methyl-3-(2-methylphenyl)-2-(4-methylpyrazol-1-yl)propanoic acid has a molecular weight of 258.32 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methylphenyl)-2-(4-methylpyrazol-1-yl)propanoic acid is sourced from PubChem (CID 167793509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).