2-(1,2-dimethyl-5-oxopyrazol-3-yl)acetic acid

C7H10N2O3 — CID 83856693

IUPAC2-(1,2-dimethyl-5-oxopyrazol-3-yl)acetic acid
SMILESCn1c(CC(=O)O)cc(=O)n1C
InChIInChI=1S/C7H10N2O3/c1-8-5(4-7(11)12)3-6(10)9(8)2/h3H,4H2,1-2H3,(H,11,12)
InChIKeySJDGXVGBMQFVNE-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.65
Rot. Bonds2

About 2-(1,2-dimethyl-5-oxopyrazol-3-yl)acetic acid

2-(1,2-dimethyl-5-oxopyrazol-3-yl)acetic acid (PubChem CID 83856693) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 2-(1,2-dimethyl-5-oxopyrazol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1,2-dimethyl-5-oxopyrazol-3-yl)acetic acid
PubChem CID83856693
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name2-(1,2-dimethyl-5-oxopyrazol-3-yl)acetic acid
SMILESCn1c(CC(=O)O)cc(=O)n1C
InChIInChI=1S/C7H10N2O3/c1-8-5(4-7(11)12)3-6(10)9(8)2/h3H,4H2,1-2H3,(H,11,12)
InChIKeySJDGXVGBMQFVNE-UHFFFAOYSA-N
XLogP-0.65
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methyl-3-oxo-1H-pyrazol-5-yl)propanoic acid
CID 67320132
2-(2-methyl-3-oxo-1H-pyrazol-5-yl)acetic acid
CID 68413311
2-(2-methyl-5-oxo-1H-pyrazol-3-yl)acetic acid
CID 69644355
2-(2-methyl-5-oxo-1H-pyrazol-3-yl)propanoic acid
CID 83846162
2-(1,2-Dimethyl-5-oxopyrazol-3-yl)propanoic acid
CID 83856701
2-(1,2-Dimethyl-5-oxopyrazol-3-yl)butanoic acid
CID 83856702
2-(1,2-Dimethyl-5-oxopyrazol-3-yl)-2-methylpropanoic acid
CID 83856704
5-(2-Hydroxyethyl)-1,2-dimethylpyrazol-3-one
CID 83856733
2-(1,2-Dimethyl-5-oxopyrazol-3-yl)-3-methylbutanoic acid
CID 112710665

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethyl-5-oxopyrazol-3-yl)acetic acid?
The IUPAC name of 2-(1,2-dimethyl-5-oxopyrazol-3-yl)acetic acid (CID 83856693) is 2-(1,2-dimethyl-5-oxopyrazol-3-yl)acetic acid.
What is the SMILES notation for 2-(1,2-dimethyl-5-oxopyrazol-3-yl)acetic acid?
The canonical SMILES for 2-(1,2-dimethyl-5-oxopyrazol-3-yl)acetic acid is Cn1c(CC(=O)O)cc(=O)n1C.
What is the InChIKey of 2-(1,2-dimethyl-5-oxopyrazol-3-yl)acetic acid?
The InChIKey is SJDGXVGBMQFVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-8-5(4-7(11)12)3-6(10)9(8)2/h3H,4H2,1-2H3,(H,11,12).
What are the key properties of 2-(1,2-dimethyl-5-oxopyrazol-3-yl)acetic acid?
2-(1,2-dimethyl-5-oxopyrazol-3-yl)acetic acid has a molecular weight of 170.17 g/mol, XLogP of -0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethyl-5-oxopyrazol-3-yl)acetic acid is sourced from PubChem (CID 83856693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).