5-(cyclobutylcarbamoyl)-1-ethylpyrazole-3-carboxylic acid

C11H15N3O3 — CID 117218440

IUPAC5-(cyclobutylcarbamoyl)-1-ethylpyrazole-3-carboxylic acid
SMILESCCn1nc(C(=O)O)cc1C(=O)NC1CCC1
InChIInChI=1S/C11H15N3O3/c1-2-14-9(6-8(13-14)11(16)17)10(15)12-7-4-3-5-7/h6-7H,2-5H2,1H3,(H,12,15)(H,16,17)
InChIKeyNPEYGHYAWKUCGR-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.88
Rot. Bonds4

About 5-(cyclobutylcarbamoyl)-1-ethylpyrazole-3-carboxylic acid

5-(cyclobutylcarbamoyl)-1-ethylpyrazole-3-carboxylic acid (PubChem CID 117218440) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 5-(cyclobutylcarbamoyl)-1-ethylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(cyclobutylcarbamoyl)-1-ethylpyrazole-3-carboxylic acid
PubChem CID117218440
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name5-(cyclobutylcarbamoyl)-1-ethylpyrazole-3-carboxylic acid
SMILESCCn1nc(C(=O)O)cc1C(=O)NC1CCC1
InChIInChI=1S/C11H15N3O3/c1-2-14-9(6-8(13-14)11(16)17)10(15)12-7-4-3-5-7/h6-7H,2-5H2,1H3,(H,12,15)(H,16,17)
InChIKeyNPEYGHYAWKUCGR-UHFFFAOYSA-N
XLogP0.88
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(cyclobutylcarbamoyl)-1-ethylpyrazole-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 5-(cyclobutylcarbamoyl)-1-ethylpyrazole-3-carboxylic acid?
The IUPAC name of 5-(cyclobutylcarbamoyl)-1-ethylpyrazole-3-carboxylic acid (CID 117218440) is 5-(cyclobutylcarbamoyl)-1-ethylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(cyclobutylcarbamoyl)-1-ethylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-(cyclobutylcarbamoyl)-1-ethylpyrazole-3-carboxylic acid is CCn1nc(C(=O)O)cc1C(=O)NC1CCC1.
What is the InChIKey of 5-(cyclobutylcarbamoyl)-1-ethylpyrazole-3-carboxylic acid?
The InChIKey is NPEYGHYAWKUCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-2-14-9(6-8(13-14)11(16)17)10(15)12-7-4-3-5-7/h6-7H,2-5H2,1H3,(H,12,15)(H,16,17).
What are the key properties of 5-(cyclobutylcarbamoyl)-1-ethylpyrazole-3-carboxylic acid?
5-(cyclobutylcarbamoyl)-1-ethylpyrazole-3-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclobutylcarbamoyl)-1-ethylpyrazole-3-carboxylic acid is sourced from PubChem (CID 117218440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).