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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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).