N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-hydrazinylpyridine-3-sulfonamide

C12H18N6O2S — CID 115990626

IUPACN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-hydrazinylpyridine-3-sulfonamide
SMILESCCc1nn(C)cc1CNS(=O)(=O)c1ccc(NN)nc1
InChIInChI=1S/C12H18N6O2S/c1-3-11-9(8-18(2)17-11)6-15-21(19,20)10-4-5-12(16-13)14-7-10/h4-5,7-8,15H,3,6,13H2,1-2H3,(H,14,16)
InChIKeyIPOCKPBCZPSBIZ-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.14
Rot. Bonds6

About N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-hydrazinylpyridine-3-sulfonamide

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-hydrazinylpyridine-3-sulfonamide (PubChem CID 115990626) has the molecular formula C12H18N6O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-hydrazinylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-hydrazinylpyridine-3-sulfonamide
PubChem CID115990626
Molecular FormulaC12H18N6O2S
Molecular Weight310.38 g/mol
Exact Mass310.12
IUPAC NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-hydrazinylpyridine-3-sulfonamide
SMILESCCc1nn(C)cc1CNS(=O)(=O)c1ccc(NN)nc1
InChIInChI=1S/C12H18N6O2S/c1-3-11-9(8-18(2)17-11)6-15-21(19,20)10-4-5-12(16-13)14-7-10/h4-5,7-8,15H,3,6,13H2,1-2H3,(H,14,16)
InChIKeyIPOCKPBCZPSBIZ-UHFFFAOYSA-N
XLogP0.14
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 115990672
N-[(3-ethyl-2-pyridinyl)methyl]-6-hydrazinylpyridine-3-sulfonamide
CID 82736468
5-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-methylpyrrole-3-sulfonamide
CID 106077299
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 133444838
5-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-pyrrole-3-sulfonamide
CID 106077320
6-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide
CID 55171581
N-[(2-bromophenyl)methyl]-6-hydrazinylpyridine-3-sulfonamide
CID 61413876
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-imidazole-5-sulfonamide
CID 112550104
4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-methylbenzenesulfonamide
CID 115989655
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-oxo-1H-pyridine-3-sulfonamide
CID 115991442
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylsulfonylaniline
CID 115989506
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-hydrazinylpyridin-2-amine
CID 112672293

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-hydrazinylpyridine-3-sulfonamide?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-hydrazinylpyridine-3-sulfonamide (CID 115990626) is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-hydrazinylpyridine-3-sulfonamide.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-hydrazinylpyridine-3-sulfonamide?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-hydrazinylpyridine-3-sulfonamide is CCc1nn(C)cc1CNS(=O)(=O)c1ccc(NN)nc1.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-hydrazinylpyridine-3-sulfonamide?
The InChIKey is IPOCKPBCZPSBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2S/c1-3-11-9(8-18(2)17-11)6-15-21(19,20)10-4-5-12(16-13)14-7-10/h4-5,7-8,15H,3,6,13H2,1-2H3,(H,14,16).
What are the key properties of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-hydrazinylpyridine-3-sulfonamide?
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-hydrazinylpyridine-3-sulfonamide has a molecular weight of 310.38 g/mol, XLogP of 0.14, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-hydrazinylpyridine-3-sulfonamide is sourced from PubChem (CID 115990626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).