1-[(1-ethylimidazol-2-yl)methyl]pyrazole-4-sulfonyl chloride

C9H11ClN4O2S — CID 82913096

IUPAC1-[(1-ethylimidazol-2-yl)methyl]pyrazole-4-sulfonyl chloride
SMILESCCn1ccnc1Cn1cc(S(=O)(=O)Cl)cn1
InChIInChI=1S/C9H11ClN4O2S/c1-2-13-4-3-11-9(13)7-14-6-8(5-12-14)17(10,15)16/h3-6H,2,7H2,1H3
InChIKeyVBARWIRFMAFDBW-UHFFFAOYSA-N
MW274.73 g/mol
LogP1.08
Rot. Bonds4

About 1-[(1-ethylimidazol-2-yl)methyl]pyrazole-4-sulfonyl chloride

1-[(1-ethylimidazol-2-yl)methyl]pyrazole-4-sulfonyl chloride (PubChem CID 82913096) has the molecular formula C9H11ClN4O2S and a molecular weight of 274.73 g/mol. Its IUPAC name is 1-[(1-ethylimidazol-2-yl)methyl]pyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-[(1-ethylimidazol-2-yl)methyl]pyrazole-4-sulfonyl chloride
PubChem CID82913096
Molecular FormulaC9H11ClN4O2S
Molecular Weight274.73 g/mol
Exact Mass274.03
IUPAC Name1-[(1-ethylimidazol-2-yl)methyl]pyrazole-4-sulfonyl chloride
SMILESCCn1ccnc1Cn1cc(S(=O)(=O)Cl)cn1
InChIInChI=1S/C9H11ClN4O2S/c1-2-13-4-3-11-9(13)7-14-6-8(5-12-14)17(10,15)16/h3-6H,2,7H2,1H3
InChIKeyVBARWIRFMAFDBW-UHFFFAOYSA-N
XLogP1.08
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.73
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-2-[(2-methylimidazol-1-yl)methyl]imidazole
CID 62406588
1-octylpyrazole-4-sulfonyl chloride
CID 60912236
1-but-2-ynylpyrazole-4-sulfonyl chloride
CID 82911175
1-[(5-bromo-2-pyridinyl)methyl]pyrazole-4-sulfonyl chloride
CID 104808098
1-[(2R)-2-propan-2-yloxypropyl]pyrazole-4-sulfonyl chloride
CID 98468868
2,5-dichloro-4-[(1-ethylimidazol-2-yl)methoxy]benzenesulfonyl chloride
CID 82913218
1-(3-ethoxypropyl)pyrazole-4-sulfonyl chloride
CID 65180837
1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrazole-4-sulfonyl chloride
CID 64778434
1-(quinolin-6-ylmethyl)pyrazole-4-sulfonyl chloride
CID 82913308
1-(3-fluoropropyl)pyrazole-4-sulfonyl chloride
CID 81113658
1-benzyl-2-[(4-bromopyrazol-1-yl)methyl]imidazole
CID 71986363
1-(3-methylbut-3-enyl)pyrazole-4-sulfonyl chloride
CID 114476375

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylimidazol-2-yl)methyl]pyrazole-4-sulfonyl chloride?
The IUPAC name of 1-[(1-ethylimidazol-2-yl)methyl]pyrazole-4-sulfonyl chloride (CID 82913096) is 1-[(1-ethylimidazol-2-yl)methyl]pyrazole-4-sulfonyl chloride.
What is the SMILES notation for 1-[(1-ethylimidazol-2-yl)methyl]pyrazole-4-sulfonyl chloride?
The canonical SMILES for 1-[(1-ethylimidazol-2-yl)methyl]pyrazole-4-sulfonyl chloride is CCn1ccnc1Cn1cc(S(=O)(=O)Cl)cn1.
What is the InChIKey of 1-[(1-ethylimidazol-2-yl)methyl]pyrazole-4-sulfonyl chloride?
The InChIKey is VBARWIRFMAFDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4O2S/c1-2-13-4-3-11-9(13)7-14-6-8(5-12-14)17(10,15)16/h3-6H,2,7H2,1H3.
What are the key properties of 1-[(1-ethylimidazol-2-yl)methyl]pyrazole-4-sulfonyl chloride?
1-[(1-ethylimidazol-2-yl)methyl]pyrazole-4-sulfonyl chloride has a molecular weight of 274.73 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylimidazol-2-yl)methyl]pyrazole-4-sulfonyl chloride is sourced from PubChem (CID 82913096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).