1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)-2,2,2-trifluoroethanone

C15H21F3N2O — CID 82699740

IUPAC1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)-2,2,2-trifluoroethanone
SMILESCCc1nn(C2CCCCC2)c(CC)c1C(=O)C(F)(F)F
InChIInChI=1S/C15H21F3N2O/c1-3-11-13(14(21)15(16,17)18)12(4-2)20(19-11)10-8-6-5-7-9-10/h10H,3-9H2,1-2H3
InChIKeyHCGIREBOTGXSTP-UHFFFAOYSA-N
MW302.34 g/mol
LogP4.26
Rot. Bonds4

About 1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)-2,2,2-trifluoroethanone

1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)-2,2,2-trifluoroethanone (PubChem CID 82699740) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is 1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)-2,2,2-trifluoroethanone
PubChem CID82699740
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)-2,2,2-trifluoroethanone
SMILESCCc1nn(C2CCCCC2)c(CC)c1C(=O)C(F)(F)F
InChIInChI=1S/C15H21F3N2O/c1-3-11-13(14(21)15(16,17)18)12(4-2)20(19-11)10-8-6-5-7-9-10/h10H,3-9H2,1-2H3
InChIKeyHCGIREBOTGXSTP-UHFFFAOYSA-N
XLogP4.26
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)-2,2,2-trifluoroethanone (CID 82699740) is 1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)-2,2,2-trifluoroethanone is CCc1nn(C2CCCCC2)c(CC)c1C(=O)C(F)(F)F.
What is the InChIKey of 1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)-2,2,2-trifluoroethanone?
The InChIKey is HCGIREBOTGXSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-3-11-13(14(21)15(16,17)18)12(4-2)20(19-11)10-8-6-5-7-9-10/h10H,3-9H2,1-2H3.
What are the key properties of 1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)-2,2,2-trifluoroethanone?
1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)-2,2,2-trifluoroethanone has a molecular weight of 302.34 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 82699740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).