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

C19H13Cl3N2S — CID 7290383

IUPAC(3R)-2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole
SMILESClc1ccc(N2N=C(c3cccs3)C[C@@H]2c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H13Cl3N2S/c20-12-3-6-14(7-4-12)24-18(15-8-5-13(21)10-16(15)22)11-17(23-24)19-2-1-9-25-19/h1-10,18H,11H2/t18-/m1/s1
InChIKeyXVQRQLSFXRAEAQ-GOSISDBHSA-N
MW407.75 g/mol
LogP7.06
Rot. Bonds3

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

(3R)-2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole (PubChem CID 7290383) has the molecular formula C19H13Cl3N2S and a molecular weight of 407.75 g/mol. Its IUPAC name is (3R)-2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole.

Molecular Properties

Compound Name(3R)-2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole
PubChem CID7290383
Molecular FormulaC19H13Cl3N2S
Molecular Weight407.75 g/mol
Exact Mass405.99
IUPAC Name(3R)-2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole
SMILESClc1ccc(N2N=C(c3cccs3)C[C@@H]2c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H13Cl3N2S/c20-12-3-6-14(7-4-12)24-18(15-8-5-13(21)10-16(15)22)11-17(23-24)19-2-1-9-25-19/h1-10,18H,11H2/t18-/m1/s1
InChIKeyXVQRQLSFXRAEAQ-GOSISDBHSA-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

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Related Compounds

2,3-bis(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole
CID 45356708
(3S)-2-(4-chlorophenyl)-3-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole
CID 7290384
2-(4-chlorophenyl)-3-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole
CID 3106181
(3R)-2-(3-chlorophenyl)-5-thiophen-2-yl-3-[2-(trifluoromethyl)phenyl]-3,4-dihydropyrazole
CID 7079840
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
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
(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
(3S)-5-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazole
CID 7331673
(3R)-5-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazole
CID 7331674
2-[(5R,10bR)-9-chloro-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]-4,6-dichlorophenol
CID 92836253
(3S)-2-(4-tert-butylphenyl)-3-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazole
CID 7104178

Frequently Asked Questions

What is the IUPAC name of (3R)-2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole?
The IUPAC name of (3R)-2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole (CID 7290383) is (3R)-2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole.
What is the SMILES notation for (3R)-2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole?
The canonical SMILES for (3R)-2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole is Clc1ccc(N2N=C(c3cccs3)C[C@@H]2c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of (3R)-2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole?
The InChIKey is XVQRQLSFXRAEAQ-GOSISDBHSA-N. The full InChI is InChI=1S/C19H13Cl3N2S/c20-12-3-6-14(7-4-12)24-18(15-8-5-13(21)10-16(15)22)11-17(23-24)19-2-1-9-25-19/h1-10,18H,11H2/t18-/m1/s1.
What are the key properties of (3R)-2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole?
(3R)-2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-5-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 (3R)-2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole is sourced from PubChem (CID 7290383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).