1-cyclohexyl-2-(1-cyclohexylpyrazol-3-yl)ethanone

C17H26N2O — CID 64783352

IUPAC1-cyclohexyl-2-(1-cyclohexylpyrazol-3-yl)ethanone
SMILESO=C(Cc1ccn(C2CCCCC2)n1)C1CCCCC1
InChIInChI=1S/C17H26N2O/c20-17(14-7-3-1-4-8-14)13-15-11-12-19(18-15)16-9-5-2-6-10-16/h11-12,14,16H,1-10,13H2
InChIKeyNBZSZFAVIUNAHF-UHFFFAOYSA-N
MW274.41 g/mol
LogP4.08
Rot. Bonds4

About 1-cyclohexyl-2-(1-cyclohexylpyrazol-3-yl)ethanone

1-cyclohexyl-2-(1-cyclohexylpyrazol-3-yl)ethanone (PubChem CID 64783352) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-cyclohexyl-2-(1-cyclohexylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-(1-cyclohexylpyrazol-3-yl)ethanone
PubChem CID64783352
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-cyclohexyl-2-(1-cyclohexylpyrazol-3-yl)ethanone
SMILESO=C(Cc1ccn(C2CCCCC2)n1)C1CCCCC1
InChIInChI=1S/C17H26N2O/c20-17(14-7-3-1-4-8-14)13-15-11-12-19(18-15)16-9-5-2-6-10-16/h11-12,14,16H,1-10,13H2
InChIKeyNBZSZFAVIUNAHF-UHFFFAOYSA-N
XLogP4.08
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(1-cyclohexylpyrazol-3-yl)ethanone?
The IUPAC name of 1-cyclohexyl-2-(1-cyclohexylpyrazol-3-yl)ethanone (CID 64783352) is 1-cyclohexyl-2-(1-cyclohexylpyrazol-3-yl)ethanone.
What is the SMILES notation for 1-cyclohexyl-2-(1-cyclohexylpyrazol-3-yl)ethanone?
The canonical SMILES for 1-cyclohexyl-2-(1-cyclohexylpyrazol-3-yl)ethanone is O=C(Cc1ccn(C2CCCCC2)n1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(1-cyclohexylpyrazol-3-yl)ethanone?
The InChIKey is NBZSZFAVIUNAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c20-17(14-7-3-1-4-8-14)13-15-11-12-19(18-15)16-9-5-2-6-10-16/h11-12,14,16H,1-10,13H2.
What are the key properties of 1-cyclohexyl-2-(1-cyclohexylpyrazol-3-yl)ethanone?
1-cyclohexyl-2-(1-cyclohexylpyrazol-3-yl)ethanone has a molecular weight of 274.41 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(1-cyclohexylpyrazol-3-yl)ethanone is sourced from PubChem (CID 64783352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).