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

C15H15ClN4S — CID 19762657

IUPAC3-(4-chlorophenyl)-1-ethyl-4-imidazol-1-yl-5-methylsulfanylpyrazole
SMILESCCn1nc(-c2ccc(Cl)cc2)c(-n2ccnc2)c1SC
InChIInChI=1S/C15H15ClN4S/c1-3-20-15(21-2)14(19-9-8-17-10-19)13(18-20)11-4-6-12(16)7-5-11/h4-10H,3H2,1-2H3
InChIKeyXMPRJMHPXAEMPW-UHFFFAOYSA-N
MW318.83 g/mol
LogP4.13
Rot. Bonds4

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

3-(4-chlorophenyl)-1-ethyl-4-imidazol-1-yl-5-methylsulfanylpyrazole (PubChem CID 19762657) has the molecular formula C15H15ClN4S and a molecular weight of 318.83 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-ethyl-4-imidazol-1-yl-5-methylsulfanylpyrazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-ethyl-4-imidazol-1-yl-5-methylsulfanylpyrazole
PubChem CID19762657
Molecular FormulaC15H15ClN4S
Molecular Weight318.83 g/mol
Exact Mass318.07
IUPAC Name3-(4-chlorophenyl)-1-ethyl-4-imidazol-1-yl-5-methylsulfanylpyrazole
SMILESCCn1nc(-c2ccc(Cl)cc2)c(-n2ccnc2)c1SC
InChIInChI=1S/C15H15ClN4S/c1-3-20-15(21-2)14(19-9-8-17-10-19)13(18-20)11-4-6-12(16)7-5-11/h4-10H,3H2,1-2H3
InChIKeyXMPRJMHPXAEMPW-UHFFFAOYSA-N
XLogP4.13
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-ethyl-4-imidazol-1-yl-5-methylsulfanylpyrazole?
The IUPAC name of 3-(4-chlorophenyl)-1-ethyl-4-imidazol-1-yl-5-methylsulfanylpyrazole (CID 19762657) is 3-(4-chlorophenyl)-1-ethyl-4-imidazol-1-yl-5-methylsulfanylpyrazole.
What is the SMILES notation for 3-(4-chlorophenyl)-1-ethyl-4-imidazol-1-yl-5-methylsulfanylpyrazole?
The canonical SMILES for 3-(4-chlorophenyl)-1-ethyl-4-imidazol-1-yl-5-methylsulfanylpyrazole is CCn1nc(-c2ccc(Cl)cc2)c(-n2ccnc2)c1SC.
What is the InChIKey of 3-(4-chlorophenyl)-1-ethyl-4-imidazol-1-yl-5-methylsulfanylpyrazole?
The InChIKey is XMPRJMHPXAEMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4S/c1-3-20-15(21-2)14(19-9-8-17-10-19)13(18-20)11-4-6-12(16)7-5-11/h4-10H,3H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-1-ethyl-4-imidazol-1-yl-5-methylsulfanylpyrazole?
3-(4-chlorophenyl)-1-ethyl-4-imidazol-1-yl-5-methylsulfanylpyrazole has a molecular weight of 318.83 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-ethyl-4-imidazol-1-yl-5-methylsulfanylpyrazole is sourced from PubChem (CID 19762657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).