(2R)-2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanoic acid

C10H16N2O2 — CID 7258416

IUPAC(2R)-2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanoic acid
SMILESCc1nn(C[C@@H](C)C(=O)O)c(C)c1C
InChIInChI=1S/C10H16N2O2/c1-6(10(13)14)5-12-9(4)7(2)8(3)11-12/h6H,5H2,1-4H3,(H,13,14)/t6-/m1/s1
InChIKeyFSZIWKPHMFVUFJ-ZCFIWIBFSA-N
MW196.25 g/mol
LogP1.53
Rot. Bonds3

About (2R)-2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanoic acid

(2R)-2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanoic acid (PubChem CID 7258416) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is (2R)-2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanoic acid
PubChem CID7258416
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name(2R)-2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanoic acid
SMILESCc1nn(C[C@@H](C)C(=O)O)c(C)c1C
InChIInChI=1S/C10H16N2O2/c1-6(10(13)14)5-12-9(4)7(2)8(3)11-12/h6H,5H2,1-4H3,(H,13,14)/t6-/m1/s1
InChIKeyFSZIWKPHMFVUFJ-ZCFIWIBFSA-N
XLogP1.53
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-methylpropanoic acid
CID 65296103
3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanoic acid
CID 3162905
2-(ethylamino)-4-(3,4,5-trimethylpyrazol-1-yl)butanoic acid
CID 63040881
3-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-2-methylpropanoic acid
CID 132586017
(2S)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 40793189
3-(3,4-dimethylindazol-2-yl)-2-methylpropanoic acid
CID 84726640
(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanoic acid
CID 845395
(2S)-2-methyl-N-pyridin-2-yl-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 40793254
3-(5-fluoro-3-methylindazol-2-yl)-2-methylpropanoic acid
CID 84727251
2-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide
CID 110716730
(2R)-1-methylsulfanyl-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol
CID 100688738
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-(propan-2-ylamino)propanoic acid
CID 55038757

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanoic acid?
The IUPAC name of (2R)-2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanoic acid (CID 7258416) is (2R)-2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanoic acid.
What is the SMILES notation for (2R)-2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanoic acid?
The canonical SMILES for (2R)-2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanoic acid is Cc1nn(C[C@@H](C)C(=O)O)c(C)c1C.
What is the InChIKey of (2R)-2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanoic acid?
The InChIKey is FSZIWKPHMFVUFJ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-6(10(13)14)5-12-9(4)7(2)8(3)11-12/h6H,5H2,1-4H3,(H,13,14)/t6-/m1/s1.
What are the key properties of (2R)-2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanoic acid?
(2R)-2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanoic acid has a molecular weight of 196.25 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanoic acid is sourced from PubChem (CID 7258416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).