4-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(2,5-dichlorothiophen-3-yl)-3,4-dihydropyrazol-3-yl]-N,N-dimethylaniline

C24H19Cl3N4S2 — CID 71508529

IUPAC4-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(2,5-dichlorothiophen-3-yl)-3,4-dihydropyrazol-3-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C2CC(c3cc(Cl)sc3Cl)=NN2c2nc(-c3ccc(Cl)cc3)cs2)cc1
InChIInChI=1S/C24H19Cl3N4S2/c1-30(2)17-9-5-15(6-10-17)21-12-19(18-11-22(26)33-23(18)27)29-31(21)24-28-20(13-32-24)14-3-7-16(25)8-4-14/h3-11,13,21H,12H2,1-2H3
InChIKeyCYNFVXWBWLUEHB-UHFFFAOYSA-N
MW533.94 g/mol
LogP8.25
Rot. Bonds5

About 4-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(2,5-dichlorothiophen-3-yl)-3,4-dihydropyrazol-3-yl]-N,N-dimethylaniline

4-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(2,5-dichlorothiophen-3-yl)-3,4-dihydropyrazol-3-yl]-N,N-dimethylaniline (PubChem CID 71508529) has the molecular formula C24H19Cl3N4S2 and a molecular weight of 533.94 g/mol. Its IUPAC name is 4-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(2,5-dichlorothiophen-3-yl)-3,4-dihydropyrazol-3-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(2,5-dichlorothiophen-3-yl)-3,4-dihydropyrazol-3-yl]-N,N-dimethylaniline
PubChem CID71508529
Molecular FormulaC24H19Cl3N4S2
Molecular Weight533.94 g/mol
Exact Mass532.01
IUPAC Name4-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(2,5-dichlorothiophen-3-yl)-3,4-dihydropyrazol-3-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C2CC(c3cc(Cl)sc3Cl)=NN2c2nc(-c3ccc(Cl)cc3)cs2)cc1
InChIInChI=1S/C24H19Cl3N4S2/c1-30(2)17-9-5-15(6-10-17)21-12-19(18-11-22(26)33-23(18)27)29-31(21)24-28-20(13-32-24)14-3-7-16(25)8-4-14/h3-11,13,21H,12H2,1-2H3
InChIKeyCYNFVXWBWLUEHB-UHFFFAOYSA-N
XLogP8.25
TPSA31.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.94
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

CID 46936030
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CID 45150987
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CID 45151110
CID 45151110
CID 101886904
CID 101886904
CID 12982063
CID 12982063
CID 45150864
CID 45150864
CID 71508530
CID 71508530
CID 71508531
CID 71508531
CID 155554426
CID 155554426
CID 44818253
CID 44818253
CID 45150745
CID 45150745
CID 70688352
CID 70688352

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(2,5-dichlorothiophen-3-yl)-3,4-dihydropyrazol-3-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(2,5-dichlorothiophen-3-yl)-3,4-dihydropyrazol-3-yl]-N,N-dimethylaniline (CID 71508529) is 4-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(2,5-dichlorothiophen-3-yl)-3,4-dihydropyrazol-3-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(2,5-dichlorothiophen-3-yl)-3,4-dihydropyrazol-3-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(2,5-dichlorothiophen-3-yl)-3,4-dihydropyrazol-3-yl]-N,N-dimethylaniline is CN(C)c1ccc(C2CC(c3cc(Cl)sc3Cl)=NN2c2nc(-c3ccc(Cl)cc3)cs2)cc1.
What is the InChIKey of 4-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(2,5-dichlorothiophen-3-yl)-3,4-dihydropyrazol-3-yl]-N,N-dimethylaniline?
The InChIKey is CYNFVXWBWLUEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl3N4S2/c1-30(2)17-9-5-15(6-10-17)21-12-19(18-11-22(26)33-23(18)27)29-31(21)24-28-20(13-32-24)14-3-7-16(25)8-4-14/h3-11,13,21H,12H2,1-2H3.
What are the key properties of 4-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(2,5-dichlorothiophen-3-yl)-3,4-dihydropyrazol-3-yl]-N,N-dimethylaniline?
4-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(2,5-dichlorothiophen-3-yl)-3,4-dihydropyrazol-3-yl]-N,N-dimethylaniline has a molecular weight of 533.94 g/mol, XLogP of 8.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(2,5-dichlorothiophen-3-yl)-3,4-dihydropyrazol-3-yl]-N,N-dimethylaniline is sourced from PubChem (CID 71508529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).