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

C6H8N2O3 — CID 19897299

IUPAC2-(5-methyl-3-oxo-1H-pyrazol-2-yl)acetic acid
SMILESCc1cc(=O)n(CC(=O)O)[nH]1
InChIInChI=1S/C6H8N2O3/c1-4-2-5(9)8(7-4)3-6(10)11/h2,7H,3H2,1H3,(H,10,11)
InChIKeyCDYLUIPGEFCPJN-UHFFFAOYSA-N
MW156.14 g/mol
LogP-0.43
Rot. Bonds2

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

2-(5-methyl-3-oxo-1H-pyrazol-2-yl)acetic acid (PubChem CID 19897299) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is 2-(5-methyl-3-oxo-1H-pyrazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(5-methyl-3-oxo-1H-pyrazol-2-yl)acetic acid
PubChem CID19897299
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Name2-(5-methyl-3-oxo-1H-pyrazol-2-yl)acetic acid
SMILESCc1cc(=O)n(CC(=O)O)[nH]1
InChIInChI=1S/C6H8N2O3/c1-4-2-5(9)8(7-4)3-6(10)11/h2,7H,3H2,1H3,(H,10,11)
InChIKeyCDYLUIPGEFCPJN-UHFFFAOYSA-N
XLogP-0.43
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(5-hydroxy-3-methyl-1H-pyrazol-1-yl)acetate
CID 21501940
1-ethyl-5-hydroxy-1H-pyrazole-3-carboxylic acid
CID 83872844
2-(2-hydroxy-ethyl)-5-methyl-2H-pyrazol-3-ol
CID 12237030
2-[3-oxo-5-(trifluoromethyl)-1H-pyrazol-2-yl]acetic acid
CID 66020295
2-[5-(difluoromethyl)-3-oxo-1H-pyrazol-2-yl]acetic acid
CID 66023377
2-(4-fluoro-5-methyl-3-oxo-1H-pyrazol-2-yl)acetic acid
CID 84038913
2-(5-ethyl-4-fluoro-3-oxo-1H-pyrazol-2-yl)acetic acid
CID 84039390
2-(carboxymethyl)-3-oxo-1H-pyrazole-5-carboxylic acid
CID 14389079
3-oxo-2-propan-2-yl-1H-pyrazole-5-carboxylic acid
CID 18619797
3-(5-methyl-3-oxo-1H-pyrazol-2-yl)propanoic acid
CID 19622647
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

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-3-oxo-1H-pyrazol-2-yl)acetic acid?
The IUPAC name of 2-(5-methyl-3-oxo-1H-pyrazol-2-yl)acetic acid (CID 19897299) is 2-(5-methyl-3-oxo-1H-pyrazol-2-yl)acetic acid.
What is the SMILES notation for 2-(5-methyl-3-oxo-1H-pyrazol-2-yl)acetic acid?
The canonical SMILES for 2-(5-methyl-3-oxo-1H-pyrazol-2-yl)acetic acid is Cc1cc(=O)n(CC(=O)O)[nH]1.
What is the InChIKey of 2-(5-methyl-3-oxo-1H-pyrazol-2-yl)acetic acid?
The InChIKey is CDYLUIPGEFCPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c1-4-2-5(9)8(7-4)3-6(10)11/h2,7H,3H2,1H3,(H,10,11).
What are the key properties of 2-(5-methyl-3-oxo-1H-pyrazol-2-yl)acetic acid?
2-(5-methyl-3-oxo-1H-pyrazol-2-yl)acetic acid has a molecular weight of 156.14 g/mol, XLogP of -0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-3-oxo-1H-pyrazol-2-yl)acetic acid is sourced from PubChem (CID 19897299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).