2-(3-methyl-5-oxo-1H-pyrazol-2-yl)propanoic acid

C7H10N2O3 — CID 20548806

IUPAC2-(3-methyl-5-oxo-1H-pyrazol-2-yl)propanoic acid
SMILESCc1cc(=O)[nH]n1C(C)C(=O)O
InChIInChI=1S/C7H10N2O3/c1-4-3-6(10)8-9(4)5(2)7(11)12/h3,5H,1-2H3,(H,8,10)(H,11,12)
InChIKeyCEJNDWKTYBMPEW-UHFFFAOYSA-N
MW170.17 g/mol
LogP0.13
Rot. Bonds2

About 2-(3-methyl-5-oxo-1H-pyrazol-2-yl)propanoic acid

2-(3-methyl-5-oxo-1H-pyrazol-2-yl)propanoic acid (PubChem CID 20548806) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 2-(3-methyl-5-oxo-1H-pyrazol-2-yl)propanoic acid.

Molecular Properties

Compound Name2-(3-methyl-5-oxo-1H-pyrazol-2-yl)propanoic acid
PubChem CID20548806
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name2-(3-methyl-5-oxo-1H-pyrazol-2-yl)propanoic acid
SMILESCc1cc(=O)[nH]n1C(C)C(=O)O
InChIInChI=1S/C7H10N2O3/c1-4-3-6(10)8-9(4)5(2)7(11)12/h3,5H,1-2H3,(H,8,10)(H,11,12)
InChIKeyCEJNDWKTYBMPEW-UHFFFAOYSA-N
XLogP0.13
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-methyl-3-oxo-1H-pyrazol-2-yl)propanoic acid
CID 19622647
2-(5-hydroxy-3-methyl-1H-pyrazol-1-yl)acetic acid
CID 19897299
2-(1-carboxyethyl)-3-oxo-1H-pyrazole-5-carboxylic acid
CID 19897310
2-(5-methyl-3-oxo-1H-pyrazol-2-yl)propanoic acid
CID 20193789
3-(3-methyl-5-oxo-1H-pyrazol-2-yl)propanoic acid
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CID 123136498
2-(3-ethyl-5-oxo-1H-pyrazol-2-yl)acetic acid
CID 138584824
2-(5-ethyl-3-oxo-1H-pyrazol-2-yl)acetic acid
CID 66023179
3-Hydroxy-1-isopropyl-1H-pyrazole-5-carboxylic acid
CID 100010618
methyl 2-(5-hydroxy-3-methyl-1H-pyrazol-1-yl)acetate
CID 121214206
methyl 2-(5-hydroxy-3-methyl-1H-pyrazol-1-yl)propanoate
CID 121214207
methyl (2S)-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)propanoate
CID 129463209

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-5-oxo-1H-pyrazol-2-yl)propanoic acid?
The IUPAC name of 2-(3-methyl-5-oxo-1H-pyrazol-2-yl)propanoic acid (CID 20548806) is 2-(3-methyl-5-oxo-1H-pyrazol-2-yl)propanoic acid.
What is the SMILES notation for 2-(3-methyl-5-oxo-1H-pyrazol-2-yl)propanoic acid?
The canonical SMILES for 2-(3-methyl-5-oxo-1H-pyrazol-2-yl)propanoic acid is Cc1cc(=O)[nH]n1C(C)C(=O)O.
What is the InChIKey of 2-(3-methyl-5-oxo-1H-pyrazol-2-yl)propanoic acid?
The InChIKey is CEJNDWKTYBMPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-4-3-6(10)8-9(4)5(2)7(11)12/h3,5H,1-2H3,(H,8,10)(H,11,12).
What are the key properties of 2-(3-methyl-5-oxo-1H-pyrazol-2-yl)propanoic acid?
2-(3-methyl-5-oxo-1H-pyrazol-2-yl)propanoic acid has a molecular weight of 170.17 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-5-oxo-1H-pyrazol-2-yl)propanoic acid is sourced from PubChem (CID 20548806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).