2-(4,5-dimethyl-3-oxo-1H-pyrazol-2-yl)acetic acid

C7H10N2O3 — CID 26188893

IUPAC2-(4,5-dimethyl-3-oxo-1H-pyrazol-2-yl)acetic acid
SMILESCc1[nH]n(CC(=O)O)c(=O)c1C
InChIInChI=1S/C7H10N2O3/c1-4-5(2)8-9(7(4)12)3-6(10)11/h8H,3H2,1-2H3,(H,10,11)
InChIKeyOAZILZBSQTUYNS-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.12
Rot. Bonds2

About 2-(4,5-dimethyl-3-oxo-1H-pyrazol-2-yl)acetic acid

2-(4,5-dimethyl-3-oxo-1H-pyrazol-2-yl)acetic acid (PubChem CID 26188893) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 2-(4,5-dimethyl-3-oxo-1H-pyrazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(4,5-dimethyl-3-oxo-1H-pyrazol-2-yl)acetic acid
PubChem CID26188893
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name2-(4,5-dimethyl-3-oxo-1H-pyrazol-2-yl)acetic acid
SMILESCc1[nH]n(CC(=O)O)c(=O)c1C
InChIInChI=1S/C7H10N2O3/c1-4-5(2)8-9(7(4)12)3-6(10)11/h8H,3H2,1-2H3,(H,10,11)
InChIKeyOAZILZBSQTUYNS-UHFFFAOYSA-N
XLogP-0.12
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 ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-3-oxo-1H-pyrazol-2-yl)acetic acid?
The IUPAC name of 2-(4,5-dimethyl-3-oxo-1H-pyrazol-2-yl)acetic acid (CID 26188893) is 2-(4,5-dimethyl-3-oxo-1H-pyrazol-2-yl)acetic acid.
What is the SMILES notation for 2-(4,5-dimethyl-3-oxo-1H-pyrazol-2-yl)acetic acid?
The canonical SMILES for 2-(4,5-dimethyl-3-oxo-1H-pyrazol-2-yl)acetic acid is Cc1[nH]n(CC(=O)O)c(=O)c1C.
What is the InChIKey of 2-(4,5-dimethyl-3-oxo-1H-pyrazol-2-yl)acetic acid?
The InChIKey is OAZILZBSQTUYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-4-5(2)8-9(7(4)12)3-6(10)11/h8H,3H2,1-2H3,(H,10,11).
What are the key properties of 2-(4,5-dimethyl-3-oxo-1H-pyrazol-2-yl)acetic acid?
2-(4,5-dimethyl-3-oxo-1H-pyrazol-2-yl)acetic acid has a molecular weight of 170.17 g/mol, XLogP of -0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-3-oxo-1H-pyrazol-2-yl)acetic acid is sourced from PubChem (CID 26188893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).