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

C10H16N2O2 — CID 3162903

IUPAC2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanoic acid
SMILESCc1nn(CC(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)
InChIKeyFSZIWKPHMFVUFJ-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.53
Rot. Bonds3

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

2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanoic acid (PubChem CID 3162903) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanoic acid
PubChem CID3162903
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanoic acid
SMILESCc1nn(CC(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)
InChIKeyFSZIWKPHMFVUFJ-UHFFFAOYSA-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

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Related Compounds

2-(3,4,5-trimethyl-1H-pyrazol-1-yl)acetic acid
CID 651055
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-acetyl-3,5-dimethyl-1H-pyrazol-1-yl)propanoic acid
CID 653648
2-[3,5-dimethyl-1-(2-methylpropyl)-1H-pyrazol-4-yl]acetic acid
CID 7131172
1-Ethyl-3,5-dimethyl-1H-pyrazole-4-carboxylic acid
CID 1133641
3-(4-acetyl-3,5-dimethyl-1H-pyrazol-1-yl)butanoic acid
CID 2984081
3-(3,5-Dimethyl-1H-pyrazol-1-yl)-2-methylpropanoic acid
CID 2758649
3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpropanoic acid
CID 3162904
4-Formyl-3,5-dimethyl-1H-pyrazole-1-propanoic acid
CID 30491485
3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpropanoic acid
CID 6457554
2-(trimethyl-1H-pyrazol-4-yl)acetic acid
CID 16227249

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanoic acid?
The IUPAC name of 2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanoic acid (CID 3162903) is 2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanoic acid.
What is the SMILES notation for 2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanoic acid?
The canonical SMILES for 2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanoic acid is Cc1nn(CC(C)C(=O)O)c(C)c1C.
What is the InChIKey of 2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanoic acid?
The InChIKey is FSZIWKPHMFVUFJ-UHFFFAOYSA-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).
What are the key properties of 2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanoic acid?
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 2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanoic acid is sourced from PubChem (CID 3162903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).