2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carboxamide

C14H24N4O — CID 86790342

IUPAC2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carboxamide
SMILESCCc1nn(C)cc1CNC1CCCCC1C(N)=O
InChIInChI=1S/C14H24N4O/c1-3-12-10(9-18(2)17-12)8-16-13-7-5-4-6-11(13)14(15)19/h9,11,13,16H,3-8H2,1-2H3,(H2,15,19)
InChIKeyAOCJHKJULSZKFI-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.12
Rot. Bonds5

About 2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carboxamide

2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carboxamide (PubChem CID 86790342) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carboxamide
PubChem CID86790342
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carboxamide
SMILESCCc1nn(C)cc1CNC1CCCCC1C(N)=O
InChIInChI=1S/C14H24N4O/c1-3-12-10(9-18(2)17-12)8-16-13-7-5-4-6-11(13)14(15)19/h9,11,13,16H,3-8H2,1-2H3,(H2,15,19)
InChIKeyAOCJHKJULSZKFI-UHFFFAOYSA-N
XLogP1.12
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclohexane-1-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 2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carboxamide?
The IUPAC name of 2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carboxamide (CID 86790342) is 2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carboxamide.
What is the SMILES notation for 2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carboxamide?
The canonical SMILES for 2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carboxamide is CCc1nn(C)cc1CNC1CCCCC1C(N)=O.
What is the InChIKey of 2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carboxamide?
The InChIKey is AOCJHKJULSZKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-3-12-10(9-18(2)17-12)8-16-13-7-5-4-6-11(13)14(15)19/h9,11,13,16H,3-8H2,1-2H3,(H2,15,19).
What are the key properties of 2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carboxamide?
2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carboxamide is sourced from PubChem (CID 86790342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).