1-butyl-3-(4-chlorophenyl)-4-imidazol-1-yl-5-methylsulfanylpyrazole

C17H19ClN4S — CID 19762664

IUPAC1-butyl-3-(4-chlorophenyl)-4-imidazol-1-yl-5-methylsulfanylpyrazole
SMILESCCCCn1nc(-c2ccc(Cl)cc2)c(-n2ccnc2)c1SC
InChIInChI=1S/C17H19ClN4S/c1-3-4-10-22-17(23-2)16(21-11-9-19-12-21)15(20-22)13-5-7-14(18)8-6-13/h5-9,11-12H,3-4,10H2,1-2H3
InChIKeyYCPYKDZOWHBJEV-UHFFFAOYSA-N
MW346.89 g/mol
LogP4.91
Rot. Bonds6

About 1-butyl-3-(4-chlorophenyl)-4-imidazol-1-yl-5-methylsulfanylpyrazole

1-butyl-3-(4-chlorophenyl)-4-imidazol-1-yl-5-methylsulfanylpyrazole (PubChem CID 19762664) has the molecular formula C17H19ClN4S and a molecular weight of 346.89 g/mol. Its IUPAC name is 1-butyl-3-(4-chlorophenyl)-4-imidazol-1-yl-5-methylsulfanylpyrazole.

Molecular Properties

Compound Name1-butyl-3-(4-chlorophenyl)-4-imidazol-1-yl-5-methylsulfanylpyrazole
PubChem CID19762664
Molecular FormulaC17H19ClN4S
Molecular Weight346.89 g/mol
Exact Mass346.10
IUPAC Name1-butyl-3-(4-chlorophenyl)-4-imidazol-1-yl-5-methylsulfanylpyrazole
SMILESCCCCn1nc(-c2ccc(Cl)cc2)c(-n2ccnc2)c1SC
InChIInChI=1S/C17H19ClN4S/c1-3-4-10-22-17(23-2)16(21-11-9-19-12-21)15(20-22)13-5-7-14(18)8-6-13/h5-9,11-12H,3-4,10H2,1-2H3
InChIKeyYCPYKDZOWHBJEV-UHFFFAOYSA-N
XLogP4.91
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.89
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(4-chlorophenyl)-4-imidazol-1-yl-5-methylsulfanylpyrazole?
The IUPAC name of 1-butyl-3-(4-chlorophenyl)-4-imidazol-1-yl-5-methylsulfanylpyrazole (CID 19762664) is 1-butyl-3-(4-chlorophenyl)-4-imidazol-1-yl-5-methylsulfanylpyrazole.
What is the SMILES notation for 1-butyl-3-(4-chlorophenyl)-4-imidazol-1-yl-5-methylsulfanylpyrazole?
The canonical SMILES for 1-butyl-3-(4-chlorophenyl)-4-imidazol-1-yl-5-methylsulfanylpyrazole is CCCCn1nc(-c2ccc(Cl)cc2)c(-n2ccnc2)c1SC.
What is the InChIKey of 1-butyl-3-(4-chlorophenyl)-4-imidazol-1-yl-5-methylsulfanylpyrazole?
The InChIKey is YCPYKDZOWHBJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4S/c1-3-4-10-22-17(23-2)16(21-11-9-19-12-21)15(20-22)13-5-7-14(18)8-6-13/h5-9,11-12H,3-4,10H2,1-2H3.
What are the key properties of 1-butyl-3-(4-chlorophenyl)-4-imidazol-1-yl-5-methylsulfanylpyrazole?
1-butyl-3-(4-chlorophenyl)-4-imidazol-1-yl-5-methylsulfanylpyrazole has a molecular weight of 346.89 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(4-chlorophenyl)-4-imidazol-1-yl-5-methylsulfanylpyrazole is sourced from PubChem (CID 19762664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).