3-cyclohexyl-N-(2,5-dimethylpyrazol-3-yl)propanamide

C14H23N3O — CID 35291300

IUPAC3-cyclohexyl-N-(2,5-dimethylpyrazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCC2CCCCC2)n(C)n1
InChIInChI=1S/C14H23N3O/c1-11-10-13(17(2)16-11)15-14(18)9-8-12-6-4-3-5-7-12/h10,12H,3-9H2,1-2H3,(H,15,18)
InChIKeyWQLYAOAOHBIWGB-UHFFFAOYSA-N
MW249.36 g/mol
LogP3.03
Rot. Bonds4

About 3-cyclohexyl-N-(2,5-dimethylpyrazol-3-yl)propanamide

3-cyclohexyl-N-(2,5-dimethylpyrazol-3-yl)propanamide (PubChem CID 35291300) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-cyclohexyl-N-(2,5-dimethylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-(2,5-dimethylpyrazol-3-yl)propanamide
PubChem CID35291300
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-cyclohexyl-N-(2,5-dimethylpyrazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCC2CCCCC2)n(C)n1
InChIInChI=1S/C14H23N3O/c1-11-10-13(17(2)16-11)15-14(18)9-8-12-6-4-3-5-7-12/h10,12H,3-9H2,1-2H3,(H,15,18)
InChIKeyWQLYAOAOHBIWGB-UHFFFAOYSA-N
XLogP3.03
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-(2,5-dimethylpyrazol-3-yl)propanamide?
The IUPAC name of 3-cyclohexyl-N-(2,5-dimethylpyrazol-3-yl)propanamide (CID 35291300) is 3-cyclohexyl-N-(2,5-dimethylpyrazol-3-yl)propanamide.
What is the SMILES notation for 3-cyclohexyl-N-(2,5-dimethylpyrazol-3-yl)propanamide?
The canonical SMILES for 3-cyclohexyl-N-(2,5-dimethylpyrazol-3-yl)propanamide is Cc1cc(NC(=O)CCC2CCCCC2)n(C)n1.
What is the InChIKey of 3-cyclohexyl-N-(2,5-dimethylpyrazol-3-yl)propanamide?
The InChIKey is WQLYAOAOHBIWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11-10-13(17(2)16-11)15-14(18)9-8-12-6-4-3-5-7-12/h10,12H,3-9H2,1-2H3,(H,15,18).
What are the key properties of 3-cyclohexyl-N-(2,5-dimethylpyrazol-3-yl)propanamide?
3-cyclohexyl-N-(2,5-dimethylpyrazol-3-yl)propanamide has a molecular weight of 249.36 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-(2,5-dimethylpyrazol-3-yl)propanamide is sourced from PubChem (CID 35291300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).