ethane;1-(4-methoxyphenyl)-5-[(Z)-1-methoxyprop-1-enyl]-3-(trifluoromethyl)pyrazole

C17H21F3N2O2 — CID 144673428

IUPACethane;1-(4-methoxyphenyl)-5-[(Z)-1-methoxyprop-1-enyl]-3-(trifluoromethyl)pyrazole
SMILESC/C=C(\OC)c1cc(C(F)(F)F)nn1-c1ccc(OC)cc1.CC
InChIInChI=1S/C15H15F3N2O2.C2H6/c1-4-13(22-3)12-9-14(15(16,17)18)19-20(12)10-5-7-11(21-2)8-6-10;1-2/h4-9H,1-3H3;1-2H3/b13-4-;
InChIKeyMYKOGPLBQBKWCS-REVZYDSWSA-N
MW342.36 g/mol
LogP4.93
Rot. Bonds4

About ethane;1-(4-methoxyphenyl)-5-[(Z)-1-methoxyprop-1-enyl]-3-(trifluoromethyl)pyrazole

ethane;1-(4-methoxyphenyl)-5-[(Z)-1-methoxyprop-1-enyl]-3-(trifluoromethyl)pyrazole (PubChem CID 144673428) has the molecular formula C17H21F3N2O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is ethane;1-(4-methoxyphenyl)-5-[(Z)-1-methoxyprop-1-enyl]-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Nameethane;1-(4-methoxyphenyl)-5-[(Z)-1-methoxyprop-1-enyl]-3-(trifluoromethyl)pyrazole
PubChem CID144673428
Molecular FormulaC17H21F3N2O2
Molecular Weight342.36 g/mol
Exact Mass342.16
IUPAC Nameethane;1-(4-methoxyphenyl)-5-[(Z)-1-methoxyprop-1-enyl]-3-(trifluoromethyl)pyrazole
SMILESC/C=C(\OC)c1cc(C(F)(F)F)nn1-c1ccc(OC)cc1.CC
InChIInChI=1S/C15H15F3N2O2.C2H6/c1-4-13(22-3)12-9-14(15(16,17)18)19-20(12)10-5-7-11(21-2)8-6-10;1-2/h4-9H,1-3H3;1-2H3/b13-4-;
InChIKeyMYKOGPLBQBKWCS-REVZYDSWSA-N
XLogP4.93
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze ethane;1-(4-methoxyphenyl)-5-[(Z)-1-methoxyprop-1-enyl]-3-(trifluoromethyl)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 ethane;1-(4-methoxyphenyl)-5-[(Z)-1-methoxyprop-1-enyl]-3-(trifluoromethyl)pyrazole?
The IUPAC name of ethane;1-(4-methoxyphenyl)-5-[(Z)-1-methoxyprop-1-enyl]-3-(trifluoromethyl)pyrazole (CID 144673428) is ethane;1-(4-methoxyphenyl)-5-[(Z)-1-methoxyprop-1-enyl]-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for ethane;1-(4-methoxyphenyl)-5-[(Z)-1-methoxyprop-1-enyl]-3-(trifluoromethyl)pyrazole?
The canonical SMILES for ethane;1-(4-methoxyphenyl)-5-[(Z)-1-methoxyprop-1-enyl]-3-(trifluoromethyl)pyrazole is C/C=C(\OC)c1cc(C(F)(F)F)nn1-c1ccc(OC)cc1.CC.
What is the InChIKey of ethane;1-(4-methoxyphenyl)-5-[(Z)-1-methoxyprop-1-enyl]-3-(trifluoromethyl)pyrazole?
The InChIKey is MYKOGPLBQBKWCS-REVZYDSWSA-N. The full InChI is InChI=1S/C15H15F3N2O2.C2H6/c1-4-13(22-3)12-9-14(15(16,17)18)19-20(12)10-5-7-11(21-2)8-6-10;1-2/h4-9H,1-3H3;1-2H3/b13-4-;.
What are the key properties of ethane;1-(4-methoxyphenyl)-5-[(Z)-1-methoxyprop-1-enyl]-3-(trifluoromethyl)pyrazole?
ethane;1-(4-methoxyphenyl)-5-[(Z)-1-methoxyprop-1-enyl]-3-(trifluoromethyl)pyrazole has a molecular weight of 342.36 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-methoxyphenyl)-5-[(Z)-1-methoxyprop-1-enyl]-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 144673428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).