N-cyclohexyl-2-(3,5-dimethylpyrazol-1-yl)acetamide

C13H21N3O — CID 856392

IUPACN-cyclohexyl-2-(3,5-dimethylpyrazol-1-yl)acetamide
SMILESCc1cc(C)n(CC(=O)NC2CCCCC2)n1
InChIInChI=1S/C13H21N3O/c1-10-8-11(2)16(15-10)9-13(17)14-12-6-4-3-5-7-12/h8,12H,3-7,9H2,1-2H3,(H,14,17)
InChIKeyLRLGPYBYEJHUAH-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.95
Rot. Bonds3

About N-cyclohexyl-2-(3,5-dimethylpyrazol-1-yl)acetamide

N-cyclohexyl-2-(3,5-dimethylpyrazol-1-yl)acetamide (PubChem CID 856392) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-cyclohexyl-2-(3,5-dimethylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(3,5-dimethylpyrazol-1-yl)acetamide
PubChem CID856392
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-cyclohexyl-2-(3,5-dimethylpyrazol-1-yl)acetamide
SMILESCc1cc(C)n(CC(=O)NC2CCCCC2)n1
InChIInChI=1S/C13H21N3O/c1-10-8-11(2)16(15-10)9-13(17)14-12-6-4-3-5-7-12/h8,12H,3-7,9H2,1-2H3,(H,14,17)
InChIKeyLRLGPYBYEJHUAH-UHFFFAOYSA-N
XLogP1.95
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The IUPAC name of N-cyclohexyl-2-(3,5-dimethylpyrazol-1-yl)acetamide (CID 856392) is N-cyclohexyl-2-(3,5-dimethylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(3,5-dimethylpyrazol-1-yl)acetamide is Cc1cc(C)n(CC(=O)NC2CCCCC2)n1.
What is the InChIKey of N-cyclohexyl-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The InChIKey is LRLGPYBYEJHUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10-8-11(2)16(15-10)9-13(17)14-12-6-4-3-5-7-12/h8,12H,3-7,9H2,1-2H3,(H,14,17).
What are the key properties of N-cyclohexyl-2-(3,5-dimethylpyrazol-1-yl)acetamide?
N-cyclohexyl-2-(3,5-dimethylpyrazol-1-yl)acetamide has a molecular weight of 235.33 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(3,5-dimethylpyrazol-1-yl)acetamide is sourced from PubChem (CID 856392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).