2-[4-[(2,6-dimethylcyclohexyl)amino]pyrazol-1-yl]-N-methylacetamide

C14H24N4O — CID 54866416

IUPAC2-[4-[(2,6-dimethylcyclohexyl)amino]pyrazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cc(NC2C(C)CCCC2C)cn1
InChIInChI=1S/C14H24N4O/c1-10-5-4-6-11(2)14(10)17-12-7-16-18(8-12)9-13(19)15-3/h7-8,10-11,14,17H,4-6,9H2,1-3H3,(H,15,19)
InChIKeyMJMPCIUPDAGDMG-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.87
Rot. Bonds4

About 2-[4-[(2,6-dimethylcyclohexyl)amino]pyrazol-1-yl]-N-methylacetamide

2-[4-[(2,6-dimethylcyclohexyl)amino]pyrazol-1-yl]-N-methylacetamide (PubChem CID 54866416) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[4-[(2,6-dimethylcyclohexyl)amino]pyrazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[(2,6-dimethylcyclohexyl)amino]pyrazol-1-yl]-N-methylacetamide
PubChem CID54866416
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-[4-[(2,6-dimethylcyclohexyl)amino]pyrazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cc(NC2C(C)CCCC2C)cn1
InChIInChI=1S/C14H24N4O/c1-10-5-4-6-11(2)14(10)17-12-7-16-18(8-12)9-13(19)15-3/h7-8,10-11,14,17H,4-6,9H2,1-3H3,(H,15,19)
InChIKeyMJMPCIUPDAGDMG-UHFFFAOYSA-N
XLogP1.87
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,6-dimethylcyclohexyl)amino]pyrazol-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[(2,6-dimethylcyclohexyl)amino]pyrazol-1-yl]-N-methylacetamide (CID 54866416) is 2-[4-[(2,6-dimethylcyclohexyl)amino]pyrazol-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[(2,6-dimethylcyclohexyl)amino]pyrazol-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[(2,6-dimethylcyclohexyl)amino]pyrazol-1-yl]-N-methylacetamide is CNC(=O)Cn1cc(NC2C(C)CCCC2C)cn1.
What is the InChIKey of 2-[4-[(2,6-dimethylcyclohexyl)amino]pyrazol-1-yl]-N-methylacetamide?
The InChIKey is MJMPCIUPDAGDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-10-5-4-6-11(2)14(10)17-12-7-16-18(8-12)9-13(19)15-3/h7-8,10-11,14,17H,4-6,9H2,1-3H3,(H,15,19).
What are the key properties of 2-[4-[(2,6-dimethylcyclohexyl)amino]pyrazol-1-yl]-N-methylacetamide?
2-[4-[(2,6-dimethylcyclohexyl)amino]pyrazol-1-yl]-N-methylacetamide has a molecular weight of 264.37 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,6-dimethylcyclohexyl)amino]pyrazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 54866416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).