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

C15H18N2O2 — CID 105423795

IUPAC2-methyl-3-[1-methyl-4-(3-methylphenyl)pyrazol-3-yl]propanoic acid
SMILESCc1cccc(-c2cn(C)nc2CC(C)C(=O)O)c1
InChIInChI=1S/C15H18N2O2/c1-10-5-4-6-12(7-10)13-9-17(3)16-14(13)8-11(2)15(18)19/h4-7,9,11H,8H2,1-3H3,(H,18,19)
InChIKeyCRCWARAOGOMRSQ-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.66
Rot. Bonds4

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

2-methyl-3-[1-methyl-4-(3-methylphenyl)pyrazol-3-yl]propanoic acid (PubChem CID 105423795) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-methyl-3-[1-methyl-4-(3-methylphenyl)pyrazol-3-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[1-methyl-4-(3-methylphenyl)pyrazol-3-yl]propanoic acid
PubChem CID105423795
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-methyl-3-[1-methyl-4-(3-methylphenyl)pyrazol-3-yl]propanoic acid
SMILESCc1cccc(-c2cn(C)nc2CC(C)C(=O)O)c1
InChIInChI=1S/C15H18N2O2/c1-10-5-4-6-12(7-10)13-9-17(3)16-14(13)8-11(2)15(18)19/h4-7,9,11H,8H2,1-3H3,(H,18,19)
InChIKeyCRCWARAOGOMRSQ-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

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Related Compounds

2-methyl-3-[1-methyl-4-(4-methylphenyl)pyrazol-3-yl]propanoic acid
CID 105423796
3-[4-(3-fluorophenyl)-1-methylpyrazol-3-yl]-2-methylpropanoic acid
CID 105423819
3-[4-(3-methoxyphenyl)-1-methylpyrazol-3-yl]-2-methylpropanoic acid
CID 105423921
2-[1-methyl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetic acid
CID 105423982
3-(3-methylphenyl)-1-propan-2-ylpyrazole-4-carboxylic acid
CID 61308187
2-[[(1,3-dimethylpyrazole-4-carbonyl)amino]methyl]-3-(3-methylphenyl)propanoic acid
CID 119243155
1-[3-(1-methyl-3-propan-2-ylpyrazol-4-yl)phenyl]propan-1-one
CID 66008702
4-[3-(hydroxymethyl)phenyl]-1-methylpyrazole-3-carboxylic acid
CID 170457592
1-ethyl-3-(3-methylphenyl)pyrazole-4-carboxylic acid
CID 20848730
1-methyl-N-[2-(3-methylphenyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 150231794
2-methyl-7-(3-methylphenyl)indazole-3-carboxylic acid
CID 68614458
3-ethyl-1-methyl-4-(4-methylphenyl)pyrazole
CID 70791517

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[1-methyl-4-(3-methylphenyl)pyrazol-3-yl]propanoic acid?
The IUPAC name of 2-methyl-3-[1-methyl-4-(3-methylphenyl)pyrazol-3-yl]propanoic acid (CID 105423795) is 2-methyl-3-[1-methyl-4-(3-methylphenyl)pyrazol-3-yl]propanoic acid.
What is the SMILES notation for 2-methyl-3-[1-methyl-4-(3-methylphenyl)pyrazol-3-yl]propanoic acid?
The canonical SMILES for 2-methyl-3-[1-methyl-4-(3-methylphenyl)pyrazol-3-yl]propanoic acid is Cc1cccc(-c2cn(C)nc2CC(C)C(=O)O)c1.
What is the InChIKey of 2-methyl-3-[1-methyl-4-(3-methylphenyl)pyrazol-3-yl]propanoic acid?
The InChIKey is CRCWARAOGOMRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10-5-4-6-12(7-10)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-(3-methylphenyl)pyrazol-3-yl]propanoic acid?
2-methyl-3-[1-methyl-4-(3-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-(3-methylphenyl)pyrazol-3-yl]propanoic acid is sourced from PubChem (CID 105423795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).