1-(cyclobutylmethyl)-5-methylpyrazole-3-carboxylic acid

C10H14N2O2 — CID 90351294

IUPAC1-(cyclobutylmethyl)-5-methylpyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)nn1CC1CCC1
InChIInChI=1S/C10H14N2O2/c1-7-5-9(10(13)14)11-12(7)6-8-3-2-4-8/h5,8H,2-4,6H2,1H3,(H,13,14)
InChIKeyVHCDXUPQHLKNTI-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.69
Rot. Bonds3

About 1-(cyclobutylmethyl)-5-methylpyrazole-3-carboxylic acid

1-(cyclobutylmethyl)-5-methylpyrazole-3-carboxylic acid (PubChem CID 90351294) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-5-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-5-methylpyrazole-3-carboxylic acid
PubChem CID90351294
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1-(cyclobutylmethyl)-5-methylpyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)nn1CC1CCC1
InChIInChI=1S/C10H14N2O2/c1-7-5-9(10(13)14)11-12(7)6-8-3-2-4-8/h5,8H,2-4,6H2,1H3,(H,13,14)
InChIKeyVHCDXUPQHLKNTI-UHFFFAOYSA-N
XLogP1.69
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(cyclobutylmethyl)-5-methylpyrazole-3-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-(cyclobutylmethyl)-5-methylpyrazole-3-carboxylic acid?
The IUPAC name of 1-(cyclobutylmethyl)-5-methylpyrazole-3-carboxylic acid (CID 90351294) is 1-(cyclobutylmethyl)-5-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(cyclobutylmethyl)-5-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 1-(cyclobutylmethyl)-5-methylpyrazole-3-carboxylic acid is Cc1cc(C(=O)O)nn1CC1CCC1.
What is the InChIKey of 1-(cyclobutylmethyl)-5-methylpyrazole-3-carboxylic acid?
The InChIKey is VHCDXUPQHLKNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7-5-9(10(13)14)11-12(7)6-8-3-2-4-8/h5,8H,2-4,6H2,1H3,(H,13,14).
What are the key properties of 1-(cyclobutylmethyl)-5-methylpyrazole-3-carboxylic acid?
1-(cyclobutylmethyl)-5-methylpyrazole-3-carboxylic acid has a molecular weight of 194.23 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-5-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 90351294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).