2-methyl-3-[4-(2-methylphenyl)-1H-pyrazol-5-yl]propanoic acid

C14H16N2O2 — CID 105423639

IUPAC2-methyl-3-[4-(2-methylphenyl)-1H-pyrazol-5-yl]propanoic acid
SMILESCc1ccccc1-c1cn[nH]c1CC(C)C(=O)O
InChIInChI=1S/C14H16N2O2/c1-9-5-3-4-6-11(9)12-8-15-16-13(12)7-10(2)14(17)18/h3-6,8,10H,7H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyMJQHJJVXQYYQPR-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.65
Rot. Bonds4

About 2-methyl-3-[4-(2-methylphenyl)-1H-pyrazol-5-yl]propanoic acid

2-methyl-3-[4-(2-methylphenyl)-1H-pyrazol-5-yl]propanoic acid (PubChem CID 105423639) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-methyl-3-[4-(2-methylphenyl)-1H-pyrazol-5-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[4-(2-methylphenyl)-1H-pyrazol-5-yl]propanoic acid
PubChem CID105423639
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-methyl-3-[4-(2-methylphenyl)-1H-pyrazol-5-yl]propanoic acid
SMILESCc1ccccc1-c1cn[nH]c1CC(C)C(=O)O
InChIInChI=1S/C14H16N2O2/c1-9-5-3-4-6-11(9)12-8-15-16-13(12)7-10(2)14(17)18/h3-6,8,10H,7H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyMJQHJJVXQYYQPR-UHFFFAOYSA-N
XLogP2.65
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-(2-methylphenyl)-1H-pyrazol-5-yl]propanoic acid?
The IUPAC name of 2-methyl-3-[4-(2-methylphenyl)-1H-pyrazol-5-yl]propanoic acid (CID 105423639) is 2-methyl-3-[4-(2-methylphenyl)-1H-pyrazol-5-yl]propanoic acid.
What is the SMILES notation for 2-methyl-3-[4-(2-methylphenyl)-1H-pyrazol-5-yl]propanoic acid?
The canonical SMILES for 2-methyl-3-[4-(2-methylphenyl)-1H-pyrazol-5-yl]propanoic acid is Cc1ccccc1-c1cn[nH]c1CC(C)C(=O)O.
What is the InChIKey of 2-methyl-3-[4-(2-methylphenyl)-1H-pyrazol-5-yl]propanoic acid?
The InChIKey is MJQHJJVXQYYQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9-5-3-4-6-11(9)12-8-15-16-13(12)7-10(2)14(17)18/h3-6,8,10H,7H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-methyl-3-[4-(2-methylphenyl)-1H-pyrazol-5-yl]propanoic acid?
2-methyl-3-[4-(2-methylphenyl)-1H-pyrazol-5-yl]propanoic acid has a molecular weight of 244.29 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-(2-methylphenyl)-1H-pyrazol-5-yl]propanoic acid is sourced from PubChem (CID 105423639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).