N-(2-ethyl-5-methylpyrazol-3-yl)cyclohexanecarboxamide

C13H21N3O — CID 35592589

IUPACN-(2-ethyl-5-methylpyrazol-3-yl)cyclohexanecarboxamide
SMILESCCn1nc(C)cc1NC(=O)C1CCCCC1
InChIInChI=1S/C13H21N3O/c1-3-16-12(9-10(2)15-16)14-13(17)11-7-5-4-6-8-11/h9,11H,3-8H2,1-2H3,(H,14,17)
InChIKeyXPDXBTNUCGBQSV-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.73
Rot. Bonds3

About N-(2-ethyl-5-methylpyrazol-3-yl)cyclohexanecarboxamide

N-(2-ethyl-5-methylpyrazol-3-yl)cyclohexanecarboxamide (PubChem CID 35592589) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(2-ethyl-5-methylpyrazol-3-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2-ethyl-5-methylpyrazol-3-yl)cyclohexanecarboxamide
PubChem CID35592589
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-(2-ethyl-5-methylpyrazol-3-yl)cyclohexanecarboxamide
SMILESCCn1nc(C)cc1NC(=O)C1CCCCC1
InChIInChI=1S/C13H21N3O/c1-3-16-12(9-10(2)15-16)14-13(17)11-7-5-4-6-8-11/h9,11H,3-8H2,1-2H3,(H,14,17)
InChIKeyXPDXBTNUCGBQSV-UHFFFAOYSA-N
XLogP2.73
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-ethyl-5-methylpyrazol-3-yl)cyclohexanecarboxamide 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 N-(2-ethyl-5-methylpyrazol-3-yl)cyclohexanecarboxamide?
The IUPAC name of N-(2-ethyl-5-methylpyrazol-3-yl)cyclohexanecarboxamide (CID 35592589) is N-(2-ethyl-5-methylpyrazol-3-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(2-ethyl-5-methylpyrazol-3-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(2-ethyl-5-methylpyrazol-3-yl)cyclohexanecarboxamide is CCn1nc(C)cc1NC(=O)C1CCCCC1.
What is the InChIKey of N-(2-ethyl-5-methylpyrazol-3-yl)cyclohexanecarboxamide?
The InChIKey is XPDXBTNUCGBQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-16-12(9-10(2)15-16)14-13(17)11-7-5-4-6-8-11/h9,11H,3-8H2,1-2H3,(H,14,17).
What are the key properties of N-(2-ethyl-5-methylpyrazol-3-yl)cyclohexanecarboxamide?
N-(2-ethyl-5-methylpyrazol-3-yl)cyclohexanecarboxamide has a molecular weight of 235.33 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-5-methylpyrazol-3-yl)cyclohexanecarboxamide is sourced from PubChem (CID 35592589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).