5-(3,4-dichlorophenyl)-4-imidazol-1-yl-3-methylsulfanyl-1H-pyrazole

C13H10Cl2N4S — CID 19762662

IUPAC5-(3,4-dichlorophenyl)-4-imidazol-1-yl-3-methylsulfanyl-1H-pyrazole
SMILESCSc1n[nH]c(-c2ccc(Cl)c(Cl)c2)c1-n1ccnc1
InChIInChI=1S/C13H10Cl2N4S/c1-20-13-12(19-5-4-16-7-19)11(17-18-13)8-2-3-9(14)10(15)6-8/h2-7H,1H3,(H,17,18)
InChIKeyVJKXVBYHAMBYSB-UHFFFAOYSA-N
MW325.22 g/mol
LogP4.29
Rot. Bonds3

About 5-(3,4-dichlorophenyl)-4-imidazol-1-yl-3-methylsulfanyl-1H-pyrazole

5-(3,4-dichlorophenyl)-4-imidazol-1-yl-3-methylsulfanyl-1H-pyrazole (PubChem CID 19762662) has the molecular formula C13H10Cl2N4S and a molecular weight of 325.22 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-4-imidazol-1-yl-3-methylsulfanyl-1H-pyrazole.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-4-imidazol-1-yl-3-methylsulfanyl-1H-pyrazole
PubChem CID19762662
Molecular FormulaC13H10Cl2N4S
Molecular Weight325.22 g/mol
Exact Mass324.00
IUPAC Name5-(3,4-dichlorophenyl)-4-imidazol-1-yl-3-methylsulfanyl-1H-pyrazole
SMILESCSc1n[nH]c(-c2ccc(Cl)c(Cl)c2)c1-n1ccnc1
InChIInChI=1S/C13H10Cl2N4S/c1-20-13-12(19-5-4-16-7-19)11(17-18-13)8-2-3-9(14)10(15)6-8/h2-7H,1H3,(H,17,18)
InChIKeyVJKXVBYHAMBYSB-UHFFFAOYSA-N
XLogP4.29
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.22
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-4-imidazol-1-yl-3-methylsulfanyl-1H-pyrazole?
The IUPAC name of 5-(3,4-dichlorophenyl)-4-imidazol-1-yl-3-methylsulfanyl-1H-pyrazole (CID 19762662) is 5-(3,4-dichlorophenyl)-4-imidazol-1-yl-3-methylsulfanyl-1H-pyrazole.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-4-imidazol-1-yl-3-methylsulfanyl-1H-pyrazole?
The canonical SMILES for 5-(3,4-dichlorophenyl)-4-imidazol-1-yl-3-methylsulfanyl-1H-pyrazole is CSc1n[nH]c(-c2ccc(Cl)c(Cl)c2)c1-n1ccnc1.
What is the InChIKey of 5-(3,4-dichlorophenyl)-4-imidazol-1-yl-3-methylsulfanyl-1H-pyrazole?
The InChIKey is VJKXVBYHAMBYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N4S/c1-20-13-12(19-5-4-16-7-19)11(17-18-13)8-2-3-9(14)10(15)6-8/h2-7H,1H3,(H,17,18).
What are the key properties of 5-(3,4-dichlorophenyl)-4-imidazol-1-yl-3-methylsulfanyl-1H-pyrazole?
5-(3,4-dichlorophenyl)-4-imidazol-1-yl-3-methylsulfanyl-1H-pyrazole has a molecular weight of 325.22 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-4-imidazol-1-yl-3-methylsulfanyl-1H-pyrazole is sourced from PubChem (CID 19762662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).