2-[3-[4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]phenyl]propan-2-ol

C25H20ClF3N2O — CID 59632371

IUPAC2-[3-[4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]phenyl]propan-2-ol
SMILESCC(C)(O)c1cccc(-c2ccc(-c3cc(C(F)(F)F)nn3-c3ccccc3Cl)cc2)c1
InChIInChI=1S/C25H20ClF3N2O/c1-24(2,32)19-7-5-6-18(14-19)16-10-12-17(13-11-16)22-15-23(25(27,28)29)30-31(22)21-9-4-3-8-20(21)26/h3-15,32H,1-2H3
InChIKeyDTLCWTSQCZKOKZ-UHFFFAOYSA-N
MW456.90 g/mol
LogP7.11
Rot. Bonds4

About 2-[3-[4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]phenyl]propan-2-ol

2-[3-[4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]phenyl]propan-2-ol (PubChem CID 59632371) has the molecular formula C25H20ClF3N2O and a molecular weight of 456.90 g/mol. Its IUPAC name is 2-[3-[4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[3-[4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]phenyl]propan-2-ol
PubChem CID59632371
Molecular FormulaC25H20ClF3N2O
Molecular Weight456.90 g/mol
Exact Mass456.12
IUPAC Name2-[3-[4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]phenyl]propan-2-ol
SMILESCC(C)(O)c1cccc(-c2ccc(-c3cc(C(F)(F)F)nn3-c3ccccc3Cl)cc2)c1
InChIInChI=1S/C25H20ClF3N2O/c1-24(2,32)19-7-5-6-18(14-19)16-10-12-17(13-11-16)22-15-23(25(27,28)29)30-31(22)21-9-4-3-8-20(21)26/h3-15,32H,1-2H3
InChIKeyDTLCWTSQCZKOKZ-UHFFFAOYSA-N
XLogP7.11
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.90
LogP ≤ 57.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-2-cyclohexylethanol
CID 71654047
[3-(2,4-Dichlorophenyl)-12-(3-fluoropropyl)-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-5-yl]methanol
CID 134840789
2-{4-[1-(4-chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]phenyl}ethanol
CID 21090710
1-[1-(3-Chloro-4-isocyanophenyl)-3,5-dimethylpyrazol-4-yl]-1-(4-fluorophenyl)ethanol
CID 57926480
2-[3-[5-[2-(2-Chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]phenyl]propan-2-ol
CID 59631666
2-[1-(2-Chlorophenyl)-5-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]pyrazol-3-yl]propan-2-ol
CID 59631675
2-[1-(2-chlorophenyl)-5-[5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]thiophen-2-yl]pyrazol-3-yl]propan-2-ol
CID 59631739
2-[1-(2-Chlorophenyl)-5-[4-[3-(trifluoromethylsulfonylmethyl)phenyl]phenyl]pyrazol-3-yl]propan-2-ol
CID 59631871
3-(1-(2-chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl)phenol
CID 59631919
2-[1-(2-Chlorophenyl)-5-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]pyrazol-3-yl]propan-2-ol
CID 59632167
2-[1-(2-Chlorophenyl)-5-[4-[3-(trifluoromethyl)phenyl]phenyl]pyrazol-3-yl]propan-2-ol
CID 59632168
2-[4-[5-[2-(2-Chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]phenyl]propan-2-ol
CID 59632191

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]phenyl]propan-2-ol?
The IUPAC name of 2-[3-[4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]phenyl]propan-2-ol (CID 59632371) is 2-[3-[4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]phenyl]propan-2-ol.
What is the SMILES notation for 2-[3-[4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]phenyl]propan-2-ol?
The canonical SMILES for 2-[3-[4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]phenyl]propan-2-ol is CC(C)(O)c1cccc(-c2ccc(-c3cc(C(F)(F)F)nn3-c3ccccc3Cl)cc2)c1.
What is the InChIKey of 2-[3-[4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]phenyl]propan-2-ol?
The InChIKey is DTLCWTSQCZKOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClF3N2O/c1-24(2,32)19-7-5-6-18(14-19)16-10-12-17(13-11-16)22-15-23(25(27,28)29)30-31(22)21-9-4-3-8-20(21)26/h3-15,32H,1-2H3.
What are the key properties of 2-[3-[4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]phenyl]propan-2-ol?
2-[3-[4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]phenyl]propan-2-ol has a molecular weight of 456.90 g/mol, XLogP of 7.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]phenyl]propan-2-ol is sourced from PubChem (CID 59632371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).