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

C19H14Cl2N2S — CID 45356708

IUPAC2,3-bis(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole
SMILESClc1ccc(C2CC(c3cccs3)=NN2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H14Cl2N2S/c20-14-5-3-13(4-6-14)18-12-17(19-2-1-11-24-19)22-23(18)16-9-7-15(21)8-10-16/h1-11,18H,12H2
InChIKeyDJYZXHAHQNCNNR-UHFFFAOYSA-N
MW373.31 g/mol
LogP6.41
Rot. Bonds3

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

2,3-bis(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole (PubChem CID 45356708) has the molecular formula C19H14Cl2N2S and a molecular weight of 373.31 g/mol. Its IUPAC name is 2,3-bis(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole.

Molecular Properties

Compound Name2,3-bis(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole
PubChem CID45356708
Molecular FormulaC19H14Cl2N2S
Molecular Weight373.31 g/mol
Exact Mass372.03
IUPAC Name2,3-bis(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole
SMILESClc1ccc(C2CC(c3cccs3)=NN2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H14Cl2N2S/c20-14-5-3-13(4-6-14)18-12-17(19-2-1-11-24-19)22-23(18)16-9-7-15(21)8-10-16/h1-11,18H,12H2
InChIKeyDJYZXHAHQNCNNR-UHFFFAOYSA-N
XLogP6.41
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.31
LogP ≤ 56.41
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)-3-(4-fluorophenyl)-2-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole
CID 7263592
4-(4-chlorophenyl)-2-[(3S)-3-(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 35412863
(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
7-(4-chlorophenyl)-5-thiophen-2-yl-6,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 75634678
1-[3-(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]pentan-1-one
CID 18175529
2,3-bis(4-bromophenyl)-5-(4-chlorophenyl)-3,4-dihydropyrazole
CID 3142862
(3S)-3-(4-chlorophenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 7065390
2,3-bis(4-chlorophenyl)-5-methyl-3,4-dihydropyrazole
CID 135029399
4-chloro-2-[(3R)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenol
CID 135591660
2-[3-(4-bromophenyl)-2-(4-chlorophenyl)-3,4-dihydropyrazol-5-yl]phenol
CID 136732265

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole?
The IUPAC name of 2,3-bis(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole (CID 45356708) is 2,3-bis(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole.
What is the SMILES notation for 2,3-bis(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole?
The canonical SMILES for 2,3-bis(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole is Clc1ccc(C2CC(c3cccs3)=NN2c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2,3-bis(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole?
The InChIKey is DJYZXHAHQNCNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N2S/c20-14-5-3-13(4-6-14)18-12-17(19-2-1-11-24-19)22-23(18)16-9-7-15(21)8-10-16/h1-11,18H,12H2.
What are the key properties of 2,3-bis(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole?
2,3-bis(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole has a molecular weight of 373.31 g/mol, XLogP of 6.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole is sourced from PubChem (CID 45356708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).