4-[5-thiophen-2-yl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-3-yl]phenol

C20H15F3N2OS — CID 91799364

IUPAC4-[5-thiophen-2-yl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-3-yl]phenol
SMILESOc1ccc(C2CC(c3cccs3)=NN2c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H15F3N2OS/c21-20(22,23)14-5-7-15(8-6-14)25-18(13-3-9-16(26)10-4-13)12-17(24-25)19-2-1-11-27-19/h1-11,18,26H,12H2
InChIKeyQUXYAWGELQKXGX-UHFFFAOYSA-N
MW388.41 g/mol
LogP5.83
Rot. Bonds3

About 4-[5-thiophen-2-yl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-3-yl]phenol

4-[5-thiophen-2-yl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-3-yl]phenol (PubChem CID 91799364) has the molecular formula C20H15F3N2OS and a molecular weight of 388.41 g/mol. Its IUPAC name is 4-[5-thiophen-2-yl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-3-yl]phenol.

Molecular Properties

Compound Name4-[5-thiophen-2-yl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-3-yl]phenol
PubChem CID91799364
Molecular FormulaC20H15F3N2OS
Molecular Weight388.41 g/mol
Exact Mass388.09
IUPAC Name4-[5-thiophen-2-yl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-3-yl]phenol
SMILESOc1ccc(C2CC(c3cccs3)=NN2c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H15F3N2OS/c21-20(22,23)14-5-7-15(8-6-14)25-18(13-3-9-16(26)10-4-13)12-17(24-25)19-2-1-11-27-19/h1-11,18,26H,12H2
InChIKeyQUXYAWGELQKXGX-UHFFFAOYSA-N
XLogP5.83
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.41
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1H-Pyrazole, 4,5-dihydro-3-(4-methoxyphenyl)-1-phenyl-5-(2-thienyl)-
CID 2818668
4-[2-(4-Bromophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]phenol
CID 102340753
4-[2-(4-Chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]phenol
CID 118095336
5-(4-hydroxyphenyl)-N-(4-methylphenyl)-3-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide
CID 135860777
5-(4-hydroxyphenyl)-N-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide
CID 136066031
1H-Pyrazole, 4,5-dihydro-5-(4-methoxyphenyl)-1-phenyl-3-(thienyl)-
CID 3122786
4-[5-(4-Hydroxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 171353474
7-(4-methoxyphenyl)-4-methyl-6-phenyl-7H-thieno[2,3-d]pyridazine
CID 178251616
1-[1-(2,4-Difluorophenyl)-5-(2-thienyl)(2-pyrazolin-3-yl)]-4-methoxybenzene
CID 3106193
(3S)-2-(2,4-difluorophenyl)-5-(4-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazole
CID 7329381
(3R)-2-(2,4-difluorophenyl)-5-(4-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazole
CID 7329382
(3S)-5-(4-methoxyphenyl)-2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole
CID 7071548

Frequently Asked Questions

What is the IUPAC name of 4-[5-thiophen-2-yl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-3-yl]phenol?
The IUPAC name of 4-[5-thiophen-2-yl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-3-yl]phenol (CID 91799364) is 4-[5-thiophen-2-yl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-3-yl]phenol.
What is the SMILES notation for 4-[5-thiophen-2-yl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-3-yl]phenol?
The canonical SMILES for 4-[5-thiophen-2-yl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-3-yl]phenol is Oc1ccc(C2CC(c3cccs3)=NN2c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 4-[5-thiophen-2-yl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-3-yl]phenol?
The InChIKey is QUXYAWGELQKXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2OS/c21-20(22,23)14-5-7-15(8-6-14)25-18(13-3-9-16(26)10-4-13)12-17(24-25)19-2-1-11-27-19/h1-11,18,26H,12H2.
What are the key properties of 4-[5-thiophen-2-yl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-3-yl]phenol?
4-[5-thiophen-2-yl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-3-yl]phenol has a molecular weight of 388.41 g/mol, XLogP of 5.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-thiophen-2-yl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-3-yl]phenol is sourced from PubChem (CID 91799364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).