(3R)-2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-3,4-dihydropyrazole

C17H14F4N2O2S — CID 10134720

IUPAC(3R)-2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-3,4-dihydropyrazole
SMILESCS(=O)(=O)c1ccc([C@H]2CC(C(F)(F)F)=NN2c2ccc(F)cc2)cc1
InChIInChI=1S/C17H14F4N2O2S/c1-26(24,25)14-8-2-11(3-9-14)15-10-16(17(19,20)21)22-23(15)13-6-4-12(18)5-7-13/h2-9,15H,10H2,1H3/t15-/m1/s1
InChIKeyDXANXCBCSPZANW-OAHLLOKOSA-N
MW386.37 g/mol
LogP4.10
Rot. Bonds3

About (3R)-2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-3,4-dihydropyrazole

(3R)-2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-3,4-dihydropyrazole (PubChem CID 10134720) has the molecular formula C17H14F4N2O2S and a molecular weight of 386.37 g/mol. Its IUPAC name is (3R)-2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-3,4-dihydropyrazole.

Molecular Properties

Compound Name(3R)-2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-3,4-dihydropyrazole
PubChem CID10134720
Molecular FormulaC17H14F4N2O2S
Molecular Weight386.37 g/mol
Exact Mass386.07
IUPAC Name(3R)-2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-3,4-dihydropyrazole
SMILESCS(=O)(=O)c1ccc([C@H]2CC(C(F)(F)F)=NN2c2ccc(F)cc2)cc1
InChIInChI=1S/C17H14F4N2O2S/c1-26(24,25)14-8-2-11(3-9-14)15-10-16(17(19,20)21)22-23(15)13-6-4-12(18)5-7-13/h2-9,15H,10H2,1H3/t15-/m1/s1
InChIKeyDXANXCBCSPZANW-OAHLLOKOSA-N
XLogP4.10
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.37
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(3R)-2-(4-fluorophenyl)-5-(trifluoromethyl)-3,4-dihydropyrazol-3-yl]benzenesulfonate
CID 101190966
(3S)-2-(4-fluorophenyl)-5-methyl-3-(4-methylsulfonylphenyl)-3,4-dihydropyrazole
CID 44632375
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-3,4-dihydropyrazole
CID 118705855
5-(4-methoxyphenyl)-2-(4-methylsulfonylphenyl)-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole
CID 118855465
3,5-bis(4-methylsulfonylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 71408472
3-(4-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-amine
CID 133180308
propyl N-[4-[3-phenyl-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonylcarbamate
CID 11691032
[2-oxo-2-[[4-[3-phenyl-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonylamino]ethyl] acetate
CID 11568992
N-[4-[3-phenyl-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-2-(trifluoromethyl)benzamide
CID 11635248
2-(3-chlorophenyl)-3-[3-(4-methylsulfonylphenyl)phenyl]-5-(1,1,2,2,2-pentafluoroethyl)-3,4-dihydropyrazole
CID 118432043
2-[2-(2,4-difluorophenyl)-3-[4-(4-ethylsulfonylpiperazin-1-yl)phenyl]-3,4-dihydropyrazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 142733761
3-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-3,4-dihydropyrazole-2-carbothioamide
CID 50906489

Frequently Asked Questions

What is the IUPAC name of (3R)-2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-3,4-dihydropyrazole?
The IUPAC name of (3R)-2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-3,4-dihydropyrazole (CID 10134720) is (3R)-2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-3,4-dihydropyrazole.
What is the SMILES notation for (3R)-2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-3,4-dihydropyrazole?
The canonical SMILES for (3R)-2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-3,4-dihydropyrazole is CS(=O)(=O)c1ccc([C@H]2CC(C(F)(F)F)=NN2c2ccc(F)cc2)cc1.
What is the InChIKey of (3R)-2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-3,4-dihydropyrazole?
The InChIKey is DXANXCBCSPZANW-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H14F4N2O2S/c1-26(24,25)14-8-2-11(3-9-14)15-10-16(17(19,20)21)22-23(15)13-6-4-12(18)5-7-13/h2-9,15H,10H2,1H3/t15-/m1/s1.
What are the key properties of (3R)-2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-3,4-dihydropyrazole?
(3R)-2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-3,4-dihydropyrazole has a molecular weight of 386.37 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-3,4-dihydropyrazole is sourced from PubChem (CID 10134720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).