3-[3-[(2,4-dimethylcyclohexyl)amino]pyrazol-1-yl]propanamide

C14H24N4O — CID 75521112

IUPAC3-[3-[(2,4-dimethylcyclohexyl)amino]pyrazol-1-yl]propanamide
SMILESCC1CCC(Nc2ccn(CCC(N)=O)n2)C(C)C1
InChIInChI=1S/C14H24N4O/c1-10-3-4-12(11(2)9-10)16-14-6-8-18(17-14)7-5-13(15)19/h6,8,10-12H,3-5,7,9H2,1-2H3,(H2,15,19)(H,16,17)
InChIKeyVIQDJTOUPOEQGE-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.00
Rot. Bonds5

About 3-[3-[(2,4-dimethylcyclohexyl)amino]pyrazol-1-yl]propanamide

3-[3-[(2,4-dimethylcyclohexyl)amino]pyrazol-1-yl]propanamide (PubChem CID 75521112) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-[3-[(2,4-dimethylcyclohexyl)amino]pyrazol-1-yl]propanamide.

Molecular Properties

Compound Name3-[3-[(2,4-dimethylcyclohexyl)amino]pyrazol-1-yl]propanamide
PubChem CID75521112
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name3-[3-[(2,4-dimethylcyclohexyl)amino]pyrazol-1-yl]propanamide
SMILESCC1CCC(Nc2ccn(CCC(N)=O)n2)C(C)C1
InChIInChI=1S/C14H24N4O/c1-10-3-4-12(11(2)9-10)16-14-6-8-18(17-14)7-5-13(15)19/h6,8,10-12H,3-5,7,9H2,1-2H3,(H2,15,19)(H,16,17)
InChIKeyVIQDJTOUPOEQGE-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2,4-dimethylcyclohexyl)amino]pyrazol-1-yl]propanamide?
The IUPAC name of 3-[3-[(2,4-dimethylcyclohexyl)amino]pyrazol-1-yl]propanamide (CID 75521112) is 3-[3-[(2,4-dimethylcyclohexyl)amino]pyrazol-1-yl]propanamide.
What is the SMILES notation for 3-[3-[(2,4-dimethylcyclohexyl)amino]pyrazol-1-yl]propanamide?
The canonical SMILES for 3-[3-[(2,4-dimethylcyclohexyl)amino]pyrazol-1-yl]propanamide is CC1CCC(Nc2ccn(CCC(N)=O)n2)C(C)C1.
What is the InChIKey of 3-[3-[(2,4-dimethylcyclohexyl)amino]pyrazol-1-yl]propanamide?
The InChIKey is VIQDJTOUPOEQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-10-3-4-12(11(2)9-10)16-14-6-8-18(17-14)7-5-13(15)19/h6,8,10-12H,3-5,7,9H2,1-2H3,(H2,15,19)(H,16,17).
What are the key properties of 3-[3-[(2,4-dimethylcyclohexyl)amino]pyrazol-1-yl]propanamide?
3-[3-[(2,4-dimethylcyclohexyl)amino]pyrazol-1-yl]propanamide has a molecular weight of 264.37 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2,4-dimethylcyclohexyl)amino]pyrazol-1-yl]propanamide is sourced from PubChem (CID 75521112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).