1-(2-amino-2-oxoethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride

C7H10ClN3O3S — CID 79015779

IUPAC1-(2-amino-2-oxoethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride
SMILESCc1nn(CC(N)=O)c(C)c1S(=O)(=O)Cl
InChIInChI=1S/C7H10ClN3O3S/c1-4-7(15(8,13)14)5(2)11(10-4)3-6(9)12/h3H2,1-2H3,(H2,9,12)
InChIKeyXKDGMZDMABQNNJ-UHFFFAOYSA-N
MW251.69 g/mol
LogP-0.09
Rot. Bonds3

About 1-(2-amino-2-oxoethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride

1-(2-amino-2-oxoethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride (PubChem CID 79015779) has the molecular formula C7H10ClN3O3S and a molecular weight of 251.69 g/mol. Its IUPAC name is 1-(2-amino-2-oxoethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-(2-amino-2-oxoethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride
PubChem CID79015779
Molecular FormulaC7H10ClN3O3S
Molecular Weight251.69 g/mol
Exact Mass251.01
IUPAC Name1-(2-amino-2-oxoethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride
SMILESCc1nn(CC(N)=O)c(C)c1S(=O)(=O)Cl
InChIInChI=1S/C7H10ClN3O3S/c1-4-7(15(8,13)14)5(2)11(10-4)3-6(9)12/h3H2,1-2H3,(H2,9,12)
InChIKeyXKDGMZDMABQNNJ-UHFFFAOYSA-N
XLogP-0.09
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-bromoprop-2-enyl)-3,5-dimethylpyrazole-4-sulfonyl chloride
CID 82912231
2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetamide
CID 43647536
1-(4-methoxybutyl)-3,5-dimethylpyrazole-4-sulfonyl chloride
CID 104648864
3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-sulfonyl chloride
CID 43531725
3,5-dimethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazole-4-sulfonyl chloride
CID 107051964
3,5-dimethyl-1-(2-phenylethyl)pyrazole-4-sulfonyl chloride
CID 54929599
3,5-dimethyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrazole-4-sulfonyl chloride
CID 82912439
1,3,5-trimethylpyrazole-4-sulfonyl chloride;hydrochloride
CID 51051877
2-[4-[[(2S)-1-methoxy-1-oxopropan-2-yl]sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetic acid
CID 43714267
2-[3,5-dimethyl-4-(propan-2-ylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43513491
1-[(3-cyanophenyl)methyl]-3,5-dimethylpyrazole-4-sulfonyl chloride
CID 82912440
1-[(1-ethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazole-4-sulfonyl chloride
CID 62127198

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-oxoethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride?
The IUPAC name of 1-(2-amino-2-oxoethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride (CID 79015779) is 1-(2-amino-2-oxoethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride.
What is the SMILES notation for 1-(2-amino-2-oxoethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride?
The canonical SMILES for 1-(2-amino-2-oxoethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride is Cc1nn(CC(N)=O)c(C)c1S(=O)(=O)Cl.
What is the InChIKey of 1-(2-amino-2-oxoethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride?
The InChIKey is XKDGMZDMABQNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O3S/c1-4-7(15(8,13)14)5(2)11(10-4)3-6(9)12/h3H2,1-2H3,(H2,9,12).
What are the key properties of 1-(2-amino-2-oxoethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride?
1-(2-amino-2-oxoethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride has a molecular weight of 251.69 g/mol, XLogP of -0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-oxoethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride is sourced from PubChem (CID 79015779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).