2-ethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]imidazole-4-sulfonyl chloride

C11H15ClN4O2S — CID 103013272

IUPAC2-ethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]imidazole-4-sulfonyl chloride
SMILESCCc1nc(S(=O)(=O)Cl)cn1CCc1ccnn1C
InChIInChI=1S/C11H15ClN4O2S/c1-3-10-14-11(19(12,17)18)8-16(10)7-5-9-4-6-13-15(9)2/h4,6,8H,3,5,7H2,1-2H3
InChIKeyDYZBEEKQQCCHKB-UHFFFAOYSA-N
MW302.79 g/mol
LogP1.35
Rot. Bonds5

About 2-ethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]imidazole-4-sulfonyl chloride

2-ethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]imidazole-4-sulfonyl chloride (PubChem CID 103013272) has the molecular formula C11H15ClN4O2S and a molecular weight of 302.79 g/mol. Its IUPAC name is 2-ethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]imidazole-4-sulfonyl chloride.

Molecular Properties

Compound Name2-ethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]imidazole-4-sulfonyl chloride
PubChem CID103013272
Molecular FormulaC11H15ClN4O2S
Molecular Weight302.79 g/mol
Exact Mass302.06
IUPAC Name2-ethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]imidazole-4-sulfonyl chloride
SMILESCCc1nc(S(=O)(=O)Cl)cn1CCc1ccnn1C
InChIInChI=1S/C11H15ClN4O2S/c1-3-10-14-11(19(12,17)18)8-16(10)7-5-9-4-6-13-15(9)2/h4,6,8H,3,5,7H2,1-2H3
InChIKeyDYZBEEKQQCCHKB-UHFFFAOYSA-N
XLogP1.35
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.79
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]imidazole-4-sulfonyl chloride?
The IUPAC name of 2-ethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]imidazole-4-sulfonyl chloride (CID 103013272) is 2-ethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]imidazole-4-sulfonyl chloride.
What is the SMILES notation for 2-ethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]imidazole-4-sulfonyl chloride?
The canonical SMILES for 2-ethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]imidazole-4-sulfonyl chloride is CCc1nc(S(=O)(=O)Cl)cn1CCc1ccnn1C.
What is the InChIKey of 2-ethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]imidazole-4-sulfonyl chloride?
The InChIKey is DYZBEEKQQCCHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O2S/c1-3-10-14-11(19(12,17)18)8-16(10)7-5-9-4-6-13-15(9)2/h4,6,8H,3,5,7H2,1-2H3.
What are the key properties of 2-ethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]imidazole-4-sulfonyl chloride?
2-ethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]imidazole-4-sulfonyl chloride has a molecular weight of 302.79 g/mol, XLogP of 1.35, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]imidazole-4-sulfonyl chloride is sourced from PubChem (CID 103013272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).