1-[(1-ethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazole-4-sulfonyl chloride

C11H15ClN4O2S — CID 62127198

IUPAC1-[(1-ethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazole-4-sulfonyl chloride
SMILESCCn1cc(Cn2nc(C)c(S(=O)(=O)Cl)c2C)cn1
InChIInChI=1S/C11H15ClN4O2S/c1-4-15-6-10(5-13-15)7-16-9(3)11(8(2)14-16)19(12,17)18/h5-6H,4,7H2,1-3H3
InChIKeyFLAPSOMOMVDXJG-UHFFFAOYSA-N
MW302.79 g/mol
LogP1.69
Rot. Bonds4

About 1-[(1-ethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazole-4-sulfonyl chloride

1-[(1-ethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazole-4-sulfonyl chloride (PubChem CID 62127198) has the molecular formula C11H15ClN4O2S and a molecular weight of 302.79 g/mol. Its IUPAC name is 1-[(1-ethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-[(1-ethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazole-4-sulfonyl chloride
PubChem CID62127198
Molecular FormulaC11H15ClN4O2S
Molecular Weight302.79 g/mol
Exact Mass302.06
IUPAC Name1-[(1-ethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazole-4-sulfonyl chloride
SMILESCCn1cc(Cn2nc(C)c(S(=O)(=O)Cl)c2C)cn1
InChIInChI=1S/C11H15ClN4O2S/c1-4-15-6-10(5-13-15)7-16-9(3)11(8(2)14-16)19(12,17)18/h5-6H,4,7H2,1-3H3
InChIKeyFLAPSOMOMVDXJG-UHFFFAOYSA-N
XLogP1.69
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.79
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-sulfonyl chloride
CID 43531725
1-[(1-ethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid
CID 62126743
N-ethyl-1-[1-[(1-ethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine
CID 62730637
1-[1-[(1-ethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine
CID 62731738
3,5-dimethyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrazole-4-sulfonyl chloride
CID 82912439
4-[1-[2-(1-ethylpyrazol-4-yl)ethyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine
CID 132972271
3,5-dimethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazole-4-sulfonyl chloride
CID 107051964
1-[(3-cyanophenyl)methyl]-3,5-dimethylpyrazole-4-sulfonyl chloride
CID 82912440
3,5-dimethyl-1-(2-phenylethyl)pyrazole-4-sulfonyl chloride
CID 54929599
4-(chloromethyl)-1-[(1-ethylpyrazol-4-yl)methyl]pyrazole
CID 62730205
4-(chloromethyl)-1-[(1-ethylpyrazol-4-yl)methyl]imidazole
CID 106720874
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]acetamide
CID 19525377

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazole-4-sulfonyl chloride?
The IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazole-4-sulfonyl chloride (CID 62127198) is 1-[(1-ethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazole-4-sulfonyl chloride.
What is the SMILES notation for 1-[(1-ethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazole-4-sulfonyl chloride?
The canonical SMILES for 1-[(1-ethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazole-4-sulfonyl chloride is CCn1cc(Cn2nc(C)c(S(=O)(=O)Cl)c2C)cn1.
What is the InChIKey of 1-[(1-ethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazole-4-sulfonyl chloride?
The InChIKey is FLAPSOMOMVDXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O2S/c1-4-15-6-10(5-13-15)7-16-9(3)11(8(2)14-16)19(12,17)18/h5-6H,4,7H2,1-3H3.
What are the key properties of 1-[(1-ethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazole-4-sulfonyl chloride?
1-[(1-ethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazole-4-sulfonyl chloride has a molecular weight of 302.79 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazole-4-sulfonyl chloride is sourced from PubChem (CID 62127198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).