3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanoic acid

C9H14N2O2 — CID 2758649

IUPAC3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanoic acid
SMILESCc1cc(C)n(CC(C)C(=O)O)n1
InChIInChI=1S/C9H14N2O2/c1-6(9(12)13)5-11-8(3)4-7(2)10-11/h4,6H,5H2,1-3H3,(H,12,13)
InChIKeyJQGMPUXUJVGEAE-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.22
Rot. Bonds3

About 3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanoic acid

3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanoic acid (PubChem CID 2758649) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanoic acid
PubChem CID2758649
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanoic acid
SMILESCc1cc(C)n(CC(C)C(=O)O)n1
InChIInChI=1S/C9H14N2O2/c1-6(9(12)13)5-11-8(3)4-7(2)10-11/h4,6H,5H2,1-3H3,(H,12,13)
InChIKeyJQGMPUXUJVGEAE-UHFFFAOYSA-N
XLogP1.22
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-Methyl-1H-pyrazol-1-yl)propanoic acid
CID 814994
(3,5-Dimethyl-1H-pyrazol-1-yl)acetic acid
CID 572875
2-(3,5-dimethyl-1H-pyrazol-1-yl)succinic acid
CID 2791626
2-methyl-3-(3-methyl-1H-pyrazol-1-yl)propanoic acid
CID 3137773
4-(3,5-dimethyl-1H-pyrazol-1-yl)butanoic acid
CID 3159309
2-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetic acid
CID 596118
3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoic acid
CID 3131824
3-(3,4,5-trimethyl-1H-pyrazol-1-yl)propanoic acid
CID 1096386
3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpropanoic acid
CID 3162904
3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpropanoic acid
CID 6457554
(2-(3,5-Dimethyl-1-pyrazolyl)ethylthio)acetic acid
CID 3127258
3-(3,4,5-Trimethyl-pyrazol-1-yl)-butyric acid
CID 3160220

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanoic acid?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanoic acid (CID 2758649) is 3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanoic acid?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanoic acid is Cc1cc(C)n(CC(C)C(=O)O)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanoic acid?
The InChIKey is JQGMPUXUJVGEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-6(9(12)13)5-11-8(3)4-7(2)10-11/h4,6H,5H2,1-3H3,(H,12,13).
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanoic acid?
3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanoic acid has a molecular weight of 182.22 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanoic acid is sourced from PubChem (CID 2758649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).