1-methyl-3-(trifluoromethyl)-5-[(Z)-1,1,1-trifluoro-3-[(1R)-1-propan-2-yloxyethyl]hept-4-en-2-yl]pyrazole

C17H24F6N2O — CID 162611641

IUPAC1-methyl-3-(trifluoromethyl)-5-[(Z)-1,1,1-trifluoro-3-[(1R)-1-propan-2-yloxyethyl]hept-4-en-2-yl]pyrazole
SMILESCC/C=C\C(C(c1cc(C(F)(F)F)nn1C)C(F)(F)F)[C@@H](C)OC(C)C
InChIInChI=1S/C17H24F6N2O/c1-6-7-8-12(11(4)26-10(2)3)15(17(21,22)23)13-9-14(16(18,19)20)24-25(13)5/h7-12,15H,6H2,1-5H3/b8-7-/t11-,12?,15?/m1/s1
InChIKeySPYIPSMXYPNYPS-FGAJDRSMSA-N
MW386.38 g/mol
LogP5.48
Rot. Bonds7

About 1-methyl-3-(trifluoromethyl)-5-[(Z)-1,1,1-trifluoro-3-[(1R)-1-propan-2-yloxyethyl]hept-4-en-2-yl]pyrazole

1-methyl-3-(trifluoromethyl)-5-[(Z)-1,1,1-trifluoro-3-[(1R)-1-propan-2-yloxyethyl]hept-4-en-2-yl]pyrazole (PubChem CID 162611641) has the molecular formula C17H24F6N2O and a molecular weight of 386.38 g/mol. Its IUPAC name is 1-methyl-3-(trifluoromethyl)-5-[(Z)-1,1,1-trifluoro-3-[(1R)-1-propan-2-yloxyethyl]hept-4-en-2-yl]pyrazole.

Molecular Properties

Compound Name1-methyl-3-(trifluoromethyl)-5-[(Z)-1,1,1-trifluoro-3-[(1R)-1-propan-2-yloxyethyl]hept-4-en-2-yl]pyrazole
PubChem CID162611641
Molecular FormulaC17H24F6N2O
Molecular Weight386.38 g/mol
Exact Mass386.18
IUPAC Name1-methyl-3-(trifluoromethyl)-5-[(Z)-1,1,1-trifluoro-3-[(1R)-1-propan-2-yloxyethyl]hept-4-en-2-yl]pyrazole
SMILESCC/C=C\C(C(c1cc(C(F)(F)F)nn1C)C(F)(F)F)[C@@H](C)OC(C)C
InChIInChI=1S/C17H24F6N2O/c1-6-7-8-12(11(4)26-10(2)3)15(17(21,22)23)13-9-14(16(18,19)20)24-25(13)5/h7-12,15H,6H2,1-5H3/b8-7-/t11-,12?,15?/m1/s1
InChIKeySPYIPSMXYPNYPS-FGAJDRSMSA-N
XLogP5.48
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.38
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-methyl-3-(trifluoromethyl)-5-[(Z)-1,1,1-trifluoro-3-[(1R)-1-propan-2-yloxyethyl]hept-4-en-2-yl]pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(trifluoromethyl)-5-[(Z)-1,1,1-trifluoro-3-[(1R)-1-propan-2-yloxyethyl]hept-4-en-2-yl]pyrazole?
The IUPAC name of 1-methyl-3-(trifluoromethyl)-5-[(Z)-1,1,1-trifluoro-3-[(1R)-1-propan-2-yloxyethyl]hept-4-en-2-yl]pyrazole (CID 162611641) is 1-methyl-3-(trifluoromethyl)-5-[(Z)-1,1,1-trifluoro-3-[(1R)-1-propan-2-yloxyethyl]hept-4-en-2-yl]pyrazole.
What is the SMILES notation for 1-methyl-3-(trifluoromethyl)-5-[(Z)-1,1,1-trifluoro-3-[(1R)-1-propan-2-yloxyethyl]hept-4-en-2-yl]pyrazole?
The canonical SMILES for 1-methyl-3-(trifluoromethyl)-5-[(Z)-1,1,1-trifluoro-3-[(1R)-1-propan-2-yloxyethyl]hept-4-en-2-yl]pyrazole is CC/C=C\C(C(c1cc(C(F)(F)F)nn1C)C(F)(F)F)[C@@H](C)OC(C)C.
What is the InChIKey of 1-methyl-3-(trifluoromethyl)-5-[(Z)-1,1,1-trifluoro-3-[(1R)-1-propan-2-yloxyethyl]hept-4-en-2-yl]pyrazole?
The InChIKey is SPYIPSMXYPNYPS-FGAJDRSMSA-N. The full InChI is InChI=1S/C17H24F6N2O/c1-6-7-8-12(11(4)26-10(2)3)15(17(21,22)23)13-9-14(16(18,19)20)24-25(13)5/h7-12,15H,6H2,1-5H3/b8-7-/t11-,12?,15?/m1/s1.
What are the key properties of 1-methyl-3-(trifluoromethyl)-5-[(Z)-1,1,1-trifluoro-3-[(1R)-1-propan-2-yloxyethyl]hept-4-en-2-yl]pyrazole?
1-methyl-3-(trifluoromethyl)-5-[(Z)-1,1,1-trifluoro-3-[(1R)-1-propan-2-yloxyethyl]hept-4-en-2-yl]pyrazole has a molecular weight of 386.38 g/mol, XLogP of 5.48, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(trifluoromethyl)-5-[(Z)-1,1,1-trifluoro-3-[(1R)-1-propan-2-yloxyethyl]hept-4-en-2-yl]pyrazole is sourced from PubChem (CID 162611641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).