N-(2-aminocyclohexyl)-3-ethyl-1-methylpyrazole-4-carboxamide

C13H22N4O — CID 102810931

IUPACN-(2-aminocyclohexyl)-3-ethyl-1-methylpyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)NC1CCCCC1N
InChIInChI=1S/C13H22N4O/c1-3-11-9(8-17(2)16-11)13(18)15-12-7-5-4-6-10(12)14/h8,10,12H,3-7,14H2,1-2H3,(H,15,18)
InChIKeyNDELWECFJYVNGM-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.98
Rot. Bonds3

About N-(2-aminocyclohexyl)-3-ethyl-1-methylpyrazole-4-carboxamide

N-(2-aminocyclohexyl)-3-ethyl-1-methylpyrazole-4-carboxamide (PubChem CID 102810931) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-(2-aminocyclohexyl)-3-ethyl-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminocyclohexyl)-3-ethyl-1-methylpyrazole-4-carboxamide
PubChem CID102810931
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-(2-aminocyclohexyl)-3-ethyl-1-methylpyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)NC1CCCCC1N
InChIInChI=1S/C13H22N4O/c1-3-11-9(8-17(2)16-11)13(18)15-12-7-5-4-6-10(12)14/h8,10,12H,3-7,14H2,1-2H3,(H,15,18)
InChIKeyNDELWECFJYVNGM-UHFFFAOYSA-N
XLogP0.98
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-aminocyclohexyl)-3-ethyl-1-methylpyrazole-4-carboxamide 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-aminocyclohexyl)-3-ethyl-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(2-aminocyclohexyl)-3-ethyl-1-methylpyrazole-4-carboxamide (CID 102810931) is N-(2-aminocyclohexyl)-3-ethyl-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-aminocyclohexyl)-3-ethyl-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-aminocyclohexyl)-3-ethyl-1-methylpyrazole-4-carboxamide is CCc1nn(C)cc1C(=O)NC1CCCCC1N.
What is the InChIKey of N-(2-aminocyclohexyl)-3-ethyl-1-methylpyrazole-4-carboxamide?
The InChIKey is NDELWECFJYVNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-11-9(8-17(2)16-11)13(18)15-12-7-5-4-6-10(12)14/h8,10,12H,3-7,14H2,1-2H3,(H,15,18).
What are the key properties of N-(2-aminocyclohexyl)-3-ethyl-1-methylpyrazole-4-carboxamide?
N-(2-aminocyclohexyl)-3-ethyl-1-methylpyrazole-4-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclohexyl)-3-ethyl-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 102810931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).