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

C9H14N2O2 — CID 845395

IUPAC(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanoic acid
SMILESCc1cc(C)n(C[C@@H](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)/t6-/m1/s1
InChIKeyJQGMPUXUJVGEAE-ZCFIWIBFSA-N
MW182.22 g/mol
LogP1.22
Rot. Bonds3

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

(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanoic acid (PubChem CID 845395) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is (2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanoic acid
PubChem CID845395
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanoic acid
SMILESCc1cc(C)n(C[C@@H](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)/t6-/m1/s1
InChIKeyJQGMPUXUJVGEAE-ZCFIWIBFSA-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

methyl 3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanoate
CID 43538173
(2S)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
CID 7017099
(2S)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methylbutanamide
CID 94185912
(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 42588574
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]propanoic acid
CID 43648205
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]butanoic acid
CID 43648238
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-hydroxypropanoic acid
CID 43648215
3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-pyridin-2-ylpropanamide
CID 15943520
(2R)-2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-methylbutanoic acid
CID 79011206
methyl 2-acetamido-3-(3,5-dimethylpyrazol-1-yl)propanoate
CID 65442025
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-methylbutanoic acid
CID 43648199
1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-(3-methylbutan-2-yl)urea
CID 60546682

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanoic acid?
The IUPAC name of (2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanoic acid (CID 845395) is (2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanoic acid.
What is the SMILES notation for (2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanoic acid?
The canonical SMILES for (2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanoic acid is Cc1cc(C)n(C[C@@H](C)C(=O)O)n1.
What is the InChIKey of (2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanoic acid?
The InChIKey is JQGMPUXUJVGEAE-ZCFIWIBFSA-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)/t6-/m1/s1.
What are the key properties of (2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanoic acid?
(2R)-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 (2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanoic acid is sourced from PubChem (CID 845395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).