N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-3-sulfonamide

C10H12N4O2S — CID 54896202

IUPACN-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-3-sulfonamide
SMILESCc1[nH]ncc1CNS(=O)(=O)c1cccnc1
InChIInChI=1S/C10H12N4O2S/c1-8-9(5-12-14-8)6-13-17(15,16)10-3-2-4-11-7-10/h2-5,7,13H,6H2,1H3,(H,12,14)
InChIKeyHXZMLPXUFYBQKR-UHFFFAOYSA-N
MW252.30 g/mol
LogP0.59
Rot. Bonds4

About N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-3-sulfonamide

N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-3-sulfonamide (PubChem CID 54896202) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-3-sulfonamide
PubChem CID54896202
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-3-sulfonamide
SMILESCc1[nH]ncc1CNS(=O)(=O)c1cccnc1
InChIInChI=1S/C10H12N4O2S/c1-8-9(5-12-14-8)6-13-17(15,16)10-3-2-4-11-7-10/h2-5,7,13H,6H2,1H3,(H,12,14)
InChIKeyHXZMLPXUFYBQKR-UHFFFAOYSA-N
XLogP0.59
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide
CID 110865640
6-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-3-sulfonamide
CID 62151905
2-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-4-sulfonamide
CID 61046336
4-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]benzoic acid
CID 61004285
N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridin-3-amine
CID 43663437
3-amino-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 61126378
3-fluoro-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 54896485
4-methyl-3-(methylaminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 106015484
4-bromo-3-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 107650037
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 61022852
5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 54896671
3,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 61022033

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-3-sulfonamide?
The IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-3-sulfonamide (CID 54896202) is N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-3-sulfonamide is Cc1[nH]ncc1CNS(=O)(=O)c1cccnc1.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-3-sulfonamide?
The InChIKey is HXZMLPXUFYBQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c1-8-9(5-12-14-8)6-13-17(15,16)10-3-2-4-11-7-10/h2-5,7,13H,6H2,1H3,(H,12,14).
What are the key properties of N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-3-sulfonamide?
N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-3-sulfonamide has a molecular weight of 252.30 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 54896202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).