N-(1-cyano-4-methylcyclohexyl)-3-ethyl-1-methylpyrazole-4-carboxamide

C15H22N4O — CID 102810444

IUPACN-(1-cyano-4-methylcyclohexyl)-3-ethyl-1-methylpyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)NC1(C#N)CCC(C)CC1
InChIInChI=1S/C15H22N4O/c1-4-13-12(9-19(3)18-13)14(20)17-15(10-16)7-5-11(2)6-8-15/h9,11H,4-8H2,1-3H3,(H,17,20)
InChIKeyKGTWOOAPTXNYGE-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.18
Rot. Bonds3

About N-(1-cyano-4-methylcyclohexyl)-3-ethyl-1-methylpyrazole-4-carboxamide

N-(1-cyano-4-methylcyclohexyl)-3-ethyl-1-methylpyrazole-4-carboxamide (PubChem CID 102810444) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-(1-cyano-4-methylcyclohexyl)-3-ethyl-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyano-4-methylcyclohexyl)-3-ethyl-1-methylpyrazole-4-carboxamide
PubChem CID102810444
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-(1-cyano-4-methylcyclohexyl)-3-ethyl-1-methylpyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)NC1(C#N)CCC(C)CC1
InChIInChI=1S/C15H22N4O/c1-4-13-12(9-19(3)18-13)14(20)17-15(10-16)7-5-11(2)6-8-15/h9,11H,4-8H2,1-3H3,(H,17,20)
InChIKeyKGTWOOAPTXNYGE-UHFFFAOYSA-N
XLogP2.18
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-cyano-4-methylcyclohexyl)-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-(1-cyano-4-methylcyclohexyl)-3-ethyl-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(1-cyano-4-methylcyclohexyl)-3-ethyl-1-methylpyrazole-4-carboxamide (CID 102810444) is N-(1-cyano-4-methylcyclohexyl)-3-ethyl-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1-cyano-4-methylcyclohexyl)-3-ethyl-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(1-cyano-4-methylcyclohexyl)-3-ethyl-1-methylpyrazole-4-carboxamide is CCc1nn(C)cc1C(=O)NC1(C#N)CCC(C)CC1.
What is the InChIKey of N-(1-cyano-4-methylcyclohexyl)-3-ethyl-1-methylpyrazole-4-carboxamide?
The InChIKey is KGTWOOAPTXNYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-4-13-12(9-19(3)18-13)14(20)17-15(10-16)7-5-11(2)6-8-15/h9,11H,4-8H2,1-3H3,(H,17,20).
What are the key properties of N-(1-cyano-4-methylcyclohexyl)-3-ethyl-1-methylpyrazole-4-carboxamide?
N-(1-cyano-4-methylcyclohexyl)-3-ethyl-1-methylpyrazole-4-carboxamide has a molecular weight of 274.37 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-4-methylcyclohexyl)-3-ethyl-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 102810444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).