3-(2,4-dichlorophenyl)-1-ethyl-4-imidazol-1-yl-5-methylsulfanylpyrazole

C15H14Cl2N4S — CID 19762679

IUPAC3-(2,4-dichlorophenyl)-1-ethyl-4-imidazol-1-yl-5-methylsulfanylpyrazole
SMILESCCn1nc(-c2ccc(Cl)cc2Cl)c(-n2ccnc2)c1SC
InChIInChI=1S/C15H14Cl2N4S/c1-3-21-15(22-2)14(20-7-6-18-9-20)13(19-21)11-5-4-10(16)8-12(11)17/h4-9H,3H2,1-2H3
InChIKeyPDWOXQGKKBHYBP-UHFFFAOYSA-N
MW353.28 g/mol
LogP4.78
Rot. Bonds4

About 3-(2,4-dichlorophenyl)-1-ethyl-4-imidazol-1-yl-5-methylsulfanylpyrazole

3-(2,4-dichlorophenyl)-1-ethyl-4-imidazol-1-yl-5-methylsulfanylpyrazole (PubChem CID 19762679) has the molecular formula C15H14Cl2N4S and a molecular weight of 353.28 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-1-ethyl-4-imidazol-1-yl-5-methylsulfanylpyrazole.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-1-ethyl-4-imidazol-1-yl-5-methylsulfanylpyrazole
PubChem CID19762679
Molecular FormulaC15H14Cl2N4S
Molecular Weight353.28 g/mol
Exact Mass352.03
IUPAC Name3-(2,4-dichlorophenyl)-1-ethyl-4-imidazol-1-yl-5-methylsulfanylpyrazole
SMILESCCn1nc(-c2ccc(Cl)cc2Cl)c(-n2ccnc2)c1SC
InChIInChI=1S/C15H14Cl2N4S/c1-3-21-15(22-2)14(20-7-6-18-9-20)13(19-21)11-5-4-10(16)8-12(11)17/h4-9H,3H2,1-2H3
InChIKeyPDWOXQGKKBHYBP-UHFFFAOYSA-N
XLogP4.78
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.28
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(2,4-dichlorophenyl)-1-ethyl-4-imidazol-1-yl-5-methylsulfanylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3,4-dichlorophenyl)-4-imidazol-1-yl-1-methyl-5-methylsulfanylpyrazole
CID 19762655
4-(2,4-dichlorophenyl)-5-imidazol-1-yl-N-methylpyrimidin-2-amine
CID 174423019
2-(2,4-dichlorophenyl)-3-fluoro-6-methylpyridine
CID 170837737
4-chloro-6-(2,4-dichlorophenyl)-5-methyl-2-propylpyrimidine
CID 80975712
[3-(2,4-dichlorophenyl)-1-ethylpyrazol-5-yl]methanamine
CID 84761580
(Z)-3-[2-(2,4-dichlorophenyl)ethylsulfanyl]-2-imidazol-1-yl-3-methylsulfanylprop-2-enenitrile
CID 143773302
3-(2,4-dichlorophenyl)-1-ethyl-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
CID 3334961
1-[2-[(2,4-dichlorophenyl)methylsulfanyl]phenyl]imidazole
CID 21481605
6-[2-[[6-(2,4-dichlorophenyl)-5-imidazol-1-yl-2-pyridinyl]amino]ethylamino]pyridine-3-carbonitrile
CID 18334974
1-[(4-bromophenyl)methyl]-5-(3,4-dichlorophenyl)-4-imidazol-1-yl-3-methylsulfanylpyrazole
CID 156757021
1-[4-(chloromethyl)-2,6-difluorophenyl]imidazole
CID 63077070
1-[2-(2,4-dichlorophenyl)-2-propylsulfanylethyl]imidazole
CID 21402411

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-1-ethyl-4-imidazol-1-yl-5-methylsulfanylpyrazole?
The IUPAC name of 3-(2,4-dichlorophenyl)-1-ethyl-4-imidazol-1-yl-5-methylsulfanylpyrazole (CID 19762679) is 3-(2,4-dichlorophenyl)-1-ethyl-4-imidazol-1-yl-5-methylsulfanylpyrazole.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-1-ethyl-4-imidazol-1-yl-5-methylsulfanylpyrazole?
The canonical SMILES for 3-(2,4-dichlorophenyl)-1-ethyl-4-imidazol-1-yl-5-methylsulfanylpyrazole is CCn1nc(-c2ccc(Cl)cc2Cl)c(-n2ccnc2)c1SC.
What is the InChIKey of 3-(2,4-dichlorophenyl)-1-ethyl-4-imidazol-1-yl-5-methylsulfanylpyrazole?
The InChIKey is PDWOXQGKKBHYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N4S/c1-3-21-15(22-2)14(20-7-6-18-9-20)13(19-21)11-5-4-10(16)8-12(11)17/h4-9H,3H2,1-2H3.
What are the key properties of 3-(2,4-dichlorophenyl)-1-ethyl-4-imidazol-1-yl-5-methylsulfanylpyrazole?
3-(2,4-dichlorophenyl)-1-ethyl-4-imidazol-1-yl-5-methylsulfanylpyrazole has a molecular weight of 353.28 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-1-ethyl-4-imidazol-1-yl-5-methylsulfanylpyrazole is sourced from PubChem (CID 19762679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).