2-(1-methyl-5-phenylpyrazol-3-yl)propanoic acid

C13H14N2O2 — CID 105488006

IUPAC2-(1-methyl-5-phenylpyrazol-3-yl)propanoic acid
SMILESCC(C(=O)O)c1cc(-c2ccccc2)n(C)n1
InChIInChI=1S/C13H14N2O2/c1-9(13(16)17)11-8-12(15(2)14-11)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,16,17)
InChIKeyYDXFKUJGLUCPRU-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.28
Rot. Bonds3

About 2-(1-methyl-5-phenylpyrazol-3-yl)propanoic acid

2-(1-methyl-5-phenylpyrazol-3-yl)propanoic acid (PubChem CID 105488006) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-(1-methyl-5-phenylpyrazol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(1-methyl-5-phenylpyrazol-3-yl)propanoic acid
PubChem CID105488006
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-(1-methyl-5-phenylpyrazol-3-yl)propanoic acid
SMILESCC(C(=O)O)c1cc(-c2ccccc2)n(C)n1
InChIInChI=1S/C13H14N2O2/c1-9(13(16)17)11-8-12(15(2)14-11)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,16,17)
InChIKeyYDXFKUJGLUCPRU-UHFFFAOYSA-N
XLogP2.28
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(1-methyl-5-phenylpyrazol-3-yl)ethanamine
CID 105469038
1-(2-hydroxypropyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
CID 108813006
N,N-diethyl-1-methyl-5-phenylpyrazole-3-carboxamide
CID 110336165
1-(3,5-dimethylphenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
CID 108813110
1-methyl-5-(3-propan-2-ylphenyl)pyrazole-3-carboxylic acid
CID 117362743
2-(5-cyclopentyl-1-methylpyrazol-3-yl)propanoic acid
CID 105479308
1-(2,6-dichlorophenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
CID 108813139
N-(4-acetamidophenyl)-1-methyl-5-phenylpyrazole-3-carboxamide
CID 110336197
1-[5-(3-chlorophenyl)-1-methylpyrazol-3-yl]ethanamine
CID 105497241
1-(3-hydroxypropyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
CID 108813031
3,5-dimethyl-N-(1-methyl-5-phenylpyrazol-3-yl)piperidine-1-carboxamide
CID 108813000
1-(3-chlorophenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
CID 108812972

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-5-phenylpyrazol-3-yl)propanoic acid?
The IUPAC name of 2-(1-methyl-5-phenylpyrazol-3-yl)propanoic acid (CID 105488006) is 2-(1-methyl-5-phenylpyrazol-3-yl)propanoic acid.
What is the SMILES notation for 2-(1-methyl-5-phenylpyrazol-3-yl)propanoic acid?
The canonical SMILES for 2-(1-methyl-5-phenylpyrazol-3-yl)propanoic acid is CC(C(=O)O)c1cc(-c2ccccc2)n(C)n1.
What is the InChIKey of 2-(1-methyl-5-phenylpyrazol-3-yl)propanoic acid?
The InChIKey is YDXFKUJGLUCPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9(13(16)17)11-8-12(15(2)14-11)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,16,17).
What are the key properties of 2-(1-methyl-5-phenylpyrazol-3-yl)propanoic acid?
2-(1-methyl-5-phenylpyrazol-3-yl)propanoic acid has a molecular weight of 230.27 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-5-phenylpyrazol-3-yl)propanoic acid is sourced from PubChem (CID 105488006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).