(3S)-5-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazole

C19H13Cl3N2S — CID 7331673

IUPAC(3S)-5-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazole
SMILESClc1ccc(C2=NN(c3ccc(Cl)c(Cl)c3)[C@H](c3cccs3)C2)cc1
InChIInChI=1S/C19H13Cl3N2S/c20-13-5-3-12(4-6-13)17-11-18(19-2-1-9-25-19)24(23-17)14-7-8-15(21)16(22)10-14/h1-10,18H,11H2/t18-/m0/s1
InChIKeyVCRWKBAHQYAFOX-SFHVURJKSA-N
MW407.75 g/mol
LogP7.06
Rot. Bonds3

About (3S)-5-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazole

(3S)-5-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazole (PubChem CID 7331673) has the molecular formula C19H13Cl3N2S and a molecular weight of 407.75 g/mol. Its IUPAC name is (3S)-5-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazole.

Molecular Properties

Compound Name(3S)-5-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazole
PubChem CID7331673
Molecular FormulaC19H13Cl3N2S
Molecular Weight407.75 g/mol
Exact Mass405.99
IUPAC Name(3S)-5-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazole
SMILESClc1ccc(C2=NN(c3ccc(Cl)c(Cl)c3)[C@H](c3cccs3)C2)cc1
InChIInChI=1S/C19H13Cl3N2S/c20-13-5-3-12(4-6-13)17-11-18(19-2-1-9-25-19)24(23-17)14-7-8-15(21)16(22)10-14/h1-10,18H,11H2/t18-/m0/s1
InChIKeyVCRWKBAHQYAFOX-SFHVURJKSA-N
XLogP7.06
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.75
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3S)-5-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazole with MolForge

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Related Compounds

(3R)-5-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazole
CID 7331674
(3R)-5-(4-chlorophenyl)-2-(2-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazole
CID 7242051
2-(3-bromophenyl)-5-(4-bromophenyl)-3-thiophen-2-yl-3,4-dihydropyrazole
CID 3093187
3-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazole
CID 3091732
(3S)-5-(4-chlorophenyl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole
CID 949479
(3R)-2-(4-bromophenyl)-5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazole
CID 7206586
5-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 3142864
1-[5-(4-chlorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]propan-1-one
CID 18359788
(3R)-2-(4-chlorophenyl)-3-thiophen-2-yl-5-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydropyrazole
CID 7184152
5-(4-chloro-3-fluorophenyl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole
CID 72716837
(3R)-2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole
CID 7290383
(3S)-5-(4-ethoxyphenyl)-2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole
CID 7329383

Frequently Asked Questions

What is the IUPAC name of (3S)-5-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazole?
The IUPAC name of (3S)-5-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazole (CID 7331673) is (3S)-5-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazole.
What is the SMILES notation for (3S)-5-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazole?
The canonical SMILES for (3S)-5-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazole is Clc1ccc(C2=NN(c3ccc(Cl)c(Cl)c3)[C@H](c3cccs3)C2)cc1.
What is the InChIKey of (3S)-5-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazole?
The InChIKey is VCRWKBAHQYAFOX-SFHVURJKSA-N. The full InChI is InChI=1S/C19H13Cl3N2S/c20-13-5-3-12(4-6-13)17-11-18(19-2-1-9-25-19)24(23-17)14-7-8-15(21)16(22)10-14/h1-10,18H,11H2/t18-/m0/s1.
What are the key properties of (3S)-5-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazole?
(3S)-5-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazole has a molecular weight of 407.75 g/mol, XLogP of 7.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazole is sourced from PubChem (CID 7331673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).