1-(1-amino-1-oxopropan-2-yl)pyrazole-4-sulfonyl chloride

C6H8ClN3O3S — CID 82914200

IUPAC1-(1-amino-1-oxopropan-2-yl)pyrazole-4-sulfonyl chloride
SMILESCC(C(N)=O)n1cc(S(=O)(=O)Cl)cn1
InChIInChI=1S/C6H8ClN3O3S/c1-4(6(8)11)10-3-5(2-9-10)14(7,12)13/h2-4H,1H3,(H2,8,11)
InChIKeyGOWBKRAQEITPFS-UHFFFAOYSA-N
MW237.67 g/mol
LogP-0.14
Rot. Bonds3

About 1-(1-amino-1-oxopropan-2-yl)pyrazole-4-sulfonyl chloride

1-(1-amino-1-oxopropan-2-yl)pyrazole-4-sulfonyl chloride (PubChem CID 82914200) has the molecular formula C6H8ClN3O3S and a molecular weight of 237.67 g/mol. Its IUPAC name is 1-(1-amino-1-oxopropan-2-yl)pyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-(1-amino-1-oxopropan-2-yl)pyrazole-4-sulfonyl chloride
PubChem CID82914200
Molecular FormulaC6H8ClN3O3S
Molecular Weight237.67 g/mol
Exact Mass237.00
IUPAC Name1-(1-amino-1-oxopropan-2-yl)pyrazole-4-sulfonyl chloride
SMILESCC(C(N)=O)n1cc(S(=O)(=O)Cl)cn1
InChIInChI=1S/C6H8ClN3O3S/c1-4(6(8)11)10-3-5(2-9-10)14(7,12)13/h2-4H,1H3,(H2,8,11)
InChIKeyGOWBKRAQEITPFS-UHFFFAOYSA-N
XLogP-0.14
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.67
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-1-oxopropan-2-yl)pyrazole-4-sulfonyl chloride?
The IUPAC name of 1-(1-amino-1-oxopropan-2-yl)pyrazole-4-sulfonyl chloride (CID 82914200) is 1-(1-amino-1-oxopropan-2-yl)pyrazole-4-sulfonyl chloride.
What is the SMILES notation for 1-(1-amino-1-oxopropan-2-yl)pyrazole-4-sulfonyl chloride?
The canonical SMILES for 1-(1-amino-1-oxopropan-2-yl)pyrazole-4-sulfonyl chloride is CC(C(N)=O)n1cc(S(=O)(=O)Cl)cn1.
What is the InChIKey of 1-(1-amino-1-oxopropan-2-yl)pyrazole-4-sulfonyl chloride?
The InChIKey is GOWBKRAQEITPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3O3S/c1-4(6(8)11)10-3-5(2-9-10)14(7,12)13/h2-4H,1H3,(H2,8,11).
What are the key properties of 1-(1-amino-1-oxopropan-2-yl)pyrazole-4-sulfonyl chloride?
1-(1-amino-1-oxopropan-2-yl)pyrazole-4-sulfonyl chloride has a molecular weight of 237.67 g/mol, XLogP of -0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-1-oxopropan-2-yl)pyrazole-4-sulfonyl chloride is sourced from PubChem (CID 82914200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).