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

C10H14N2O3 — CID 83856706

IUPAC1-(1,2-dimethyl-5-oxopyrazol-3-yl)cyclobutane-1-carboxylic acid
SMILESCn1c(C2(C(=O)O)CCC2)cc(=O)n1C
InChIInChI=1S/C10H14N2O3/c1-11-7(6-8(13)12(11)2)10(9(14)15)4-3-5-10/h6H,3-5H2,1-2H3,(H,14,15)
InChIKeyAOZGBKIITWGFDX-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.23
Rot. Bonds2

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

1-(1,2-dimethyl-5-oxopyrazol-3-yl)cyclobutane-1-carboxylic acid (PubChem CID 83856706) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 1-(1,2-dimethyl-5-oxopyrazol-3-yl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(1,2-dimethyl-5-oxopyrazol-3-yl)cyclobutane-1-carboxylic acid
PubChem CID83856706
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name1-(1,2-dimethyl-5-oxopyrazol-3-yl)cyclobutane-1-carboxylic acid
SMILESCn1c(C2(C(=O)O)CCC2)cc(=O)n1C
InChIInChI=1S/C10H14N2O3/c1-11-7(6-8(13)12(11)2)10(9(14)15)4-3-5-10/h6H,3-5H2,1-2H3,(H,14,15)
InChIKeyAOZGBKIITWGFDX-UHFFFAOYSA-N
XLogP0.23
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1,2-dimethyl-5-oxopyrazol-3-yl)cyclobutane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dimethyl-5-oxopyrazol-3-yl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(1,2-dimethyl-5-oxopyrazol-3-yl)cyclobutane-1-carboxylic acid (CID 83856706) is 1-(1,2-dimethyl-5-oxopyrazol-3-yl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(1,2-dimethyl-5-oxopyrazol-3-yl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(1,2-dimethyl-5-oxopyrazol-3-yl)cyclobutane-1-carboxylic acid is Cn1c(C2(C(=O)O)CCC2)cc(=O)n1C.
What is the InChIKey of 1-(1,2-dimethyl-5-oxopyrazol-3-yl)cyclobutane-1-carboxylic acid?
The InChIKey is AOZGBKIITWGFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-11-7(6-8(13)12(11)2)10(9(14)15)4-3-5-10/h6H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 1-(1,2-dimethyl-5-oxopyrazol-3-yl)cyclobutane-1-carboxylic acid?
1-(1,2-dimethyl-5-oxopyrazol-3-yl)cyclobutane-1-carboxylic acid has a molecular weight of 210.23 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dimethyl-5-oxopyrazol-3-yl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 83856706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).