3-cyclohexyl-N-(1-methylpyrazol-3-yl)propanamide

C13H21N3O — CID 18152589

IUPAC3-cyclohexyl-N-(1-methylpyrazol-3-yl)propanamide
SMILESCn1ccc(NC(=O)CCC2CCCCC2)n1
InChIInChI=1S/C13H21N3O/c1-16-10-9-12(15-16)14-13(17)8-7-11-5-3-2-4-6-11/h9-11H,2-8H2,1H3,(H,14,15,17)
InChIKeyALNZPRPVPMIYOH-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.72
Rot. Bonds4

About 3-cyclohexyl-N-(1-methylpyrazol-3-yl)propanamide

3-cyclohexyl-N-(1-methylpyrazol-3-yl)propanamide (PubChem CID 18152589) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-cyclohexyl-N-(1-methylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-(1-methylpyrazol-3-yl)propanamide
PubChem CID18152589
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-cyclohexyl-N-(1-methylpyrazol-3-yl)propanamide
SMILESCn1ccc(NC(=O)CCC2CCCCC2)n1
InChIInChI=1S/C13H21N3O/c1-16-10-9-12(15-16)14-13(17)8-7-11-5-3-2-4-6-11/h9-11H,2-8H2,1H3,(H,14,15,17)
InChIKeyALNZPRPVPMIYOH-UHFFFAOYSA-N
XLogP2.72
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-(1-methylpyrazol-3-yl)propanamide?
The IUPAC name of 3-cyclohexyl-N-(1-methylpyrazol-3-yl)propanamide (CID 18152589) is 3-cyclohexyl-N-(1-methylpyrazol-3-yl)propanamide.
What is the SMILES notation for 3-cyclohexyl-N-(1-methylpyrazol-3-yl)propanamide?
The canonical SMILES for 3-cyclohexyl-N-(1-methylpyrazol-3-yl)propanamide is Cn1ccc(NC(=O)CCC2CCCCC2)n1.
What is the InChIKey of 3-cyclohexyl-N-(1-methylpyrazol-3-yl)propanamide?
The InChIKey is ALNZPRPVPMIYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-16-10-9-12(15-16)14-13(17)8-7-11-5-3-2-4-6-11/h9-11H,2-8H2,1H3,(H,14,15,17).
What are the key properties of 3-cyclohexyl-N-(1-methylpyrazol-3-yl)propanamide?
3-cyclohexyl-N-(1-methylpyrazol-3-yl)propanamide has a molecular weight of 235.33 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-(1-methylpyrazol-3-yl)propanamide is sourced from PubChem (CID 18152589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).