4-formyl-N-methylpyrazole-1-sulfonamide

C5H7N3O3S — CID 142633219

IUPAC4-formyl-N-methylpyrazole-1-sulfonamide
SMILESCNS(=O)(=O)n1cc(C=O)cn1
InChIInChI=1S/C5H7N3O3S/c1-6-12(10,11)8-3-5(4-9)2-7-8/h2-4,6H,1H3
InChIKeyMDUPUBBIGYRGGB-UHFFFAOYSA-N
MW189.20 g/mol
LogP-0.99
Rot. Bonds3

About 4-formyl-N-methylpyrazole-1-sulfonamide

4-formyl-N-methylpyrazole-1-sulfonamide (PubChem CID 142633219) has the molecular formula C5H7N3O3S and a molecular weight of 189.20 g/mol. Its IUPAC name is 4-formyl-N-methylpyrazole-1-sulfonamide.

Molecular Properties

Compound Name4-formyl-N-methylpyrazole-1-sulfonamide
PubChem CID142633219
Molecular FormulaC5H7N3O3S
Molecular Weight189.20 g/mol
Exact Mass189.02
IUPAC Name4-formyl-N-methylpyrazole-1-sulfonamide
SMILESCNS(=O)(=O)n1cc(C=O)cn1
InChIInChI=1S/C5H7N3O3S/c1-6-12(10,11)8-3-5(4-9)2-7-8/h2-4,6H,1H3
InChIKeyMDUPUBBIGYRGGB-UHFFFAOYSA-N
XLogP-0.99
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.20
LogP ≤ 5-0.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(trihydroxymethyl)pyrazole-4-carbaldehyde
CID 178139527
1-[(2S)-butan-2-yl]pyrazole-4-carbaldehyde
CID 42575026
1-methylpyrazole-4-carbaldehyde;2,2,4,4-tetramethyl-1,3-dioxolane
CID 169138373
1-(5-methylpyrazin-2-yl)pyrazole-4-carbaldehyde
CID 137351204
4-formyl-N-methylbenzenesulfonamide
CID 14327177
1-(2-chloro-5-methylpyrimidin-4-yl)pyrazole-4-carbaldehyde
CID 121268943
1-(4-methylnaphthalen-1-yl)pyrazole-4-carbaldehyde
CID 126649663
1-[2-[2-(4-formylpyrazol-1-yl)ethoxy]ethyl]pyrazole-4-carbaldehyde
CID 101441562
1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde
CID 43471151
methyl 5-(4-formylpyrazol-1-yl)pentanoate
CID 165460763
4-(4-formylpyrazol-1-yl)-5-methylhexanenitrile
CID 118995236
1-(cyclopropylmethyl)pyrazole-4-carbaldehyde
CID 62726510

Frequently Asked Questions

What is the IUPAC name of 4-formyl-N-methylpyrazole-1-sulfonamide?
The IUPAC name of 4-formyl-N-methylpyrazole-1-sulfonamide (CID 142633219) is 4-formyl-N-methylpyrazole-1-sulfonamide.
What is the SMILES notation for 4-formyl-N-methylpyrazole-1-sulfonamide?
The canonical SMILES for 4-formyl-N-methylpyrazole-1-sulfonamide is CNS(=O)(=O)n1cc(C=O)cn1.
What is the InChIKey of 4-formyl-N-methylpyrazole-1-sulfonamide?
The InChIKey is MDUPUBBIGYRGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O3S/c1-6-12(10,11)8-3-5(4-9)2-7-8/h2-4,6H,1H3.
What are the key properties of 4-formyl-N-methylpyrazole-1-sulfonamide?
4-formyl-N-methylpyrazole-1-sulfonamide has a molecular weight of 189.20 g/mol, XLogP of -0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formyl-N-methylpyrazole-1-sulfonamide is sourced from PubChem (CID 142633219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).