(3R)-2-(3-chlorophenyl)-5-thiophen-2-yl-3-[2-(trifluoromethyl)phenyl]-3,4-dihydropyrazole

C20H14ClF3N2S — CID 7079840

IUPAC(3R)-2-(3-chlorophenyl)-5-thiophen-2-yl-3-[2-(trifluoromethyl)phenyl]-3,4-dihydropyrazole
SMILESFC(F)(F)c1ccccc1[C@H]1CC(c2cccs2)=NN1c1cccc(Cl)c1
InChIInChI=1S/C20H14ClF3N2S/c21-13-5-3-6-14(11-13)26-18(12-17(25-26)19-9-4-10-27-19)15-7-1-2-8-16(15)20(22,23)24/h1-11,18H,12H2/t18-/m1/s1
InChIKeyHRUQSFJSFXCZNI-GOSISDBHSA-N
MW406.86 g/mol
LogP6.78
Rot. Bonds3

About (3R)-2-(3-chlorophenyl)-5-thiophen-2-yl-3-[2-(trifluoromethyl)phenyl]-3,4-dihydropyrazole

(3R)-2-(3-chlorophenyl)-5-thiophen-2-yl-3-[2-(trifluoromethyl)phenyl]-3,4-dihydropyrazole (PubChem CID 7079840) has the molecular formula C20H14ClF3N2S and a molecular weight of 406.86 g/mol. Its IUPAC name is (3R)-2-(3-chlorophenyl)-5-thiophen-2-yl-3-[2-(trifluoromethyl)phenyl]-3,4-dihydropyrazole.

Molecular Properties

Compound Name(3R)-2-(3-chlorophenyl)-5-thiophen-2-yl-3-[2-(trifluoromethyl)phenyl]-3,4-dihydropyrazole
PubChem CID7079840
Molecular FormulaC20H14ClF3N2S
Molecular Weight406.86 g/mol
Exact Mass406.05
IUPAC Name(3R)-2-(3-chlorophenyl)-5-thiophen-2-yl-3-[2-(trifluoromethyl)phenyl]-3,4-dihydropyrazole
SMILESFC(F)(F)c1ccccc1[C@H]1CC(c2cccs2)=NN1c1cccc(Cl)c1
InChIInChI=1S/C20H14ClF3N2S/c21-13-5-3-6-14(11-13)26-18(12-17(25-26)19-9-4-10-27-19)15-7-1-2-8-16(15)20(22,23)24/h1-11,18H,12H2/t18-/m1/s1
InChIKeyHRUQSFJSFXCZNI-GOSISDBHSA-N
XLogP6.78
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.86
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole
CID 7290383
(3S)-2-(4-chlorophenyl)-3-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole
CID 7290384
2,3-bis(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole
CID 45356708
2-(4-chlorophenyl)-3-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole
CID 3106181
(3S)-3-(4-fluorophenyl)-2-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole
CID 7263592
6-chloro-2-[3-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
CID 3658207
6-chloro-2-[(3R)-3-(2-chloro-6-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
CID 98159431
6-chloro-2-[(3R)-3-(2,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
CID 98257508
(5R,10bR)-7,9-dichloro-5-(3-chlorophenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 92643433
3-(2-chloro-4-fluorophenyl)-2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole
CID 102564153
(3R)-3-(2-chloro-4-fluorophenyl)-2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole
CID 99803096
5-[(4-chlorophenyl)diazenyl]-2-[3-(2,5-dichlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-ol
CID 171349327

Frequently Asked Questions

What is the IUPAC name of (3R)-2-(3-chlorophenyl)-5-thiophen-2-yl-3-[2-(trifluoromethyl)phenyl]-3,4-dihydropyrazole?
The IUPAC name of (3R)-2-(3-chlorophenyl)-5-thiophen-2-yl-3-[2-(trifluoromethyl)phenyl]-3,4-dihydropyrazole (CID 7079840) is (3R)-2-(3-chlorophenyl)-5-thiophen-2-yl-3-[2-(trifluoromethyl)phenyl]-3,4-dihydropyrazole.
What is the SMILES notation for (3R)-2-(3-chlorophenyl)-5-thiophen-2-yl-3-[2-(trifluoromethyl)phenyl]-3,4-dihydropyrazole?
The canonical SMILES for (3R)-2-(3-chlorophenyl)-5-thiophen-2-yl-3-[2-(trifluoromethyl)phenyl]-3,4-dihydropyrazole is FC(F)(F)c1ccccc1[C@H]1CC(c2cccs2)=NN1c1cccc(Cl)c1.
What is the InChIKey of (3R)-2-(3-chlorophenyl)-5-thiophen-2-yl-3-[2-(trifluoromethyl)phenyl]-3,4-dihydropyrazole?
The InChIKey is HRUQSFJSFXCZNI-GOSISDBHSA-N. The full InChI is InChI=1S/C20H14ClF3N2S/c21-13-5-3-6-14(11-13)26-18(12-17(25-26)19-9-4-10-27-19)15-7-1-2-8-16(15)20(22,23)24/h1-11,18H,12H2/t18-/m1/s1.
What are the key properties of (3R)-2-(3-chlorophenyl)-5-thiophen-2-yl-3-[2-(trifluoromethyl)phenyl]-3,4-dihydropyrazole?
(3R)-2-(3-chlorophenyl)-5-thiophen-2-yl-3-[2-(trifluoromethyl)phenyl]-3,4-dihydropyrazole has a molecular weight of 406.86 g/mol, XLogP of 6.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-(3-chlorophenyl)-5-thiophen-2-yl-3-[2-(trifluoromethyl)phenyl]-3,4-dihydropyrazole is sourced from PubChem (CID 7079840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).