4-(4-chlorophenyl)-1-[2-[[3-(trifluoromethyl)phenyl]methoxy]ethyl]pyrazole

C19H16ClF3N2O — CID 4063254

IUPAC4-(4-chlorophenyl)-1-[2-[[3-(trifluoromethyl)phenyl]methoxy]ethyl]pyrazole
SMILESFC(F)(F)c1cccc(COCCn2cc(-c3ccc(Cl)cc3)cn2)c1
InChIInChI=1S/C19H16ClF3N2O/c20-18-6-4-15(5-7-18)16-11-24-25(12-16)8-9-26-13-14-2-1-3-17(10-14)19(21,22)23/h1-7,10-12H,8-9,13H2
InChIKeyWBSFBFAQHQFCNI-UHFFFAOYSA-N
MW380.80 g/mol
LogP5.44
Rot. Bonds6

About 4-(4-chlorophenyl)-1-[2-[[3-(trifluoromethyl)phenyl]methoxy]ethyl]pyrazole

4-(4-chlorophenyl)-1-[2-[[3-(trifluoromethyl)phenyl]methoxy]ethyl]pyrazole (PubChem CID 4063254) has the molecular formula C19H16ClF3N2O and a molecular weight of 380.80 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-[2-[[3-(trifluoromethyl)phenyl]methoxy]ethyl]pyrazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-[2-[[3-(trifluoromethyl)phenyl]methoxy]ethyl]pyrazole
PubChem CID4063254
Molecular FormulaC19H16ClF3N2O
Molecular Weight380.80 g/mol
Exact Mass380.09
IUPAC Name4-(4-chlorophenyl)-1-[2-[[3-(trifluoromethyl)phenyl]methoxy]ethyl]pyrazole
SMILESFC(F)(F)c1cccc(COCCn2cc(-c3ccc(Cl)cc3)cn2)c1
InChIInChI=1S/C19H16ClF3N2O/c20-18-6-4-15(5-7-18)16-11-24-25(12-16)8-9-26-13-14-2-1-3-17(10-14)19(21,22)23/h1-7,10-12H,8-9,13H2
InChIKeyWBSFBFAQHQFCNI-UHFFFAOYSA-N
XLogP5.44
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.80
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(4-chlorophenyl)-1-[2-[[3-(trifluoromethyl)phenyl]methoxy]ethyl]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 4-(4-chlorophenyl)-1-[2-[[3-(trifluoromethyl)phenyl]methoxy]ethyl]pyrazole?
The IUPAC name of 4-(4-chlorophenyl)-1-[2-[[3-(trifluoromethyl)phenyl]methoxy]ethyl]pyrazole (CID 4063254) is 4-(4-chlorophenyl)-1-[2-[[3-(trifluoromethyl)phenyl]methoxy]ethyl]pyrazole.
What is the SMILES notation for 4-(4-chlorophenyl)-1-[2-[[3-(trifluoromethyl)phenyl]methoxy]ethyl]pyrazole?
The canonical SMILES for 4-(4-chlorophenyl)-1-[2-[[3-(trifluoromethyl)phenyl]methoxy]ethyl]pyrazole is FC(F)(F)c1cccc(COCCn2cc(-c3ccc(Cl)cc3)cn2)c1.
What is the InChIKey of 4-(4-chlorophenyl)-1-[2-[[3-(trifluoromethyl)phenyl]methoxy]ethyl]pyrazole?
The InChIKey is WBSFBFAQHQFCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF3N2O/c20-18-6-4-15(5-7-18)16-11-24-25(12-16)8-9-26-13-14-2-1-3-17(10-14)19(21,22)23/h1-7,10-12H,8-9,13H2.
What are the key properties of 4-(4-chlorophenyl)-1-[2-[[3-(trifluoromethyl)phenyl]methoxy]ethyl]pyrazole?
4-(4-chlorophenyl)-1-[2-[[3-(trifluoromethyl)phenyl]methoxy]ethyl]pyrazole has a molecular weight of 380.80 g/mol, XLogP of 5.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-[2-[[3-(trifluoromethyl)phenyl]methoxy]ethyl]pyrazole is sourced from PubChem (CID 4063254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).