4-(3-methyl-3,4-dihydropyrazol-2-yl)pyridine-3-sulfonamide

C9H12N4O2S — CID 46704077

IUPAC4-(3-methyl-3,4-dihydropyrazol-2-yl)pyridine-3-sulfonamide
SMILESCC1CC=NN1c1ccncc1S(N)(=O)=O
InChIInChI=1S/C9H12N4O2S/c1-7-2-5-12-13(7)8-3-4-11-6-9(8)16(10,14)15/h3-7H,2H2,1H3,(H2,10,14,15)
InChIKeyLMKCKKHGIIIBOX-UHFFFAOYSA-N
MW240.29 g/mol
LogP0.31
Rot. Bonds2

About 4-(3-methyl-3,4-dihydropyrazol-2-yl)pyridine-3-sulfonamide

4-(3-methyl-3,4-dihydropyrazol-2-yl)pyridine-3-sulfonamide (PubChem CID 46704077) has the molecular formula C9H12N4O2S and a molecular weight of 240.29 g/mol. Its IUPAC name is 4-(3-methyl-3,4-dihydropyrazol-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name4-(3-methyl-3,4-dihydropyrazol-2-yl)pyridine-3-sulfonamide
PubChem CID46704077
Molecular FormulaC9H12N4O2S
Molecular Weight240.29 g/mol
Exact Mass240.07
IUPAC Name4-(3-methyl-3,4-dihydropyrazol-2-yl)pyridine-3-sulfonamide
SMILESCC1CC=NN1c1ccncc1S(N)(=O)=O
InChIInChI=1S/C9H12N4O2S/c1-7-2-5-12-13(7)8-3-4-11-6-9(8)16(10,14)15/h3-7H,2H2,1H3,(H2,10,14,15)
InChIKeyLMKCKKHGIIIBOX-UHFFFAOYSA-N
XLogP0.31
TPSA88.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-3,4-dihydropyrazol-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 4-(3-methyl-3,4-dihydropyrazol-2-yl)pyridine-3-sulfonamide (CID 46704077) is 4-(3-methyl-3,4-dihydropyrazol-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 4-(3-methyl-3,4-dihydropyrazol-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 4-(3-methyl-3,4-dihydropyrazol-2-yl)pyridine-3-sulfonamide is CC1CC=NN1c1ccncc1S(N)(=O)=O.
What is the InChIKey of 4-(3-methyl-3,4-dihydropyrazol-2-yl)pyridine-3-sulfonamide?
The InChIKey is LMKCKKHGIIIBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2S/c1-7-2-5-12-13(7)8-3-4-11-6-9(8)16(10,14)15/h3-7H,2H2,1H3,(H2,10,14,15).
What are the key properties of 4-(3-methyl-3,4-dihydropyrazol-2-yl)pyridine-3-sulfonamide?
4-(3-methyl-3,4-dihydropyrazol-2-yl)pyridine-3-sulfonamide has a molecular weight of 240.29 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-3,4-dihydropyrazol-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 46704077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).