N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-imidazole-5-sulfonamide

C10H15N5O2S — CID 112550104

IUPACN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-imidazole-5-sulfonamide
SMILESCCc1nn(C)cc1CNS(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C10H15N5O2S/c1-3-9-8(6-15(2)14-9)4-13-18(16,17)10-5-11-7-12-10/h5-7,13H,3-4H2,1-2H3,(H,11,12)
InChIKeyALJIGGSBFMXBPJ-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.18
Rot. Bonds5

About N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-imidazole-5-sulfonamide

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-imidazole-5-sulfonamide (PubChem CID 112550104) has the molecular formula C10H15N5O2S and a molecular weight of 269.33 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-imidazole-5-sulfonamide
PubChem CID112550104
Molecular FormulaC10H15N5O2S
Molecular Weight269.33 g/mol
Exact Mass269.09
IUPAC NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-imidazole-5-sulfonamide
SMILESCCc1nn(C)cc1CNS(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C10H15N5O2S/c1-3-9-8(6-15(2)14-9)4-13-18(16,17)10-5-11-7-12-10/h5-7,13H,3-4H2,1-2H3,(H,11,12)
InChIKeyALJIGGSBFMXBPJ-UHFFFAOYSA-N
XLogP0.18
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-pyrrole-3-sulfonamide
CID 106077320
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-oxo-1H-pyridine-3-sulfonamide
CID 115991442
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-hydrazinylpyridine-3-sulfonamide
CID 115990626
5-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-methylpyrrole-3-sulfonamide
CID 106077299
3-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]propane-1-sulfonamide
CID 112671892
4-amino-3-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 115990672
2-cyano-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyridine-3-sulfonamide
CID 106546673
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-ethylsulfonylpropan-2-amine
CID 115885692
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]formamide
CID 112672097
4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-methylbenzenesulfonamide
CID 115989655
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-methylsulfonylpropan-2-amine
CID 112549539
N-(quinolin-8-ylmethyl)-1H-imidazole-5-sulfonamide
CID 78996081

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-imidazole-5-sulfonamide?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-imidazole-5-sulfonamide (CID 112550104) is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-imidazole-5-sulfonamide is CCc1nn(C)cc1CNS(=O)(=O)c1cnc[nH]1.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-imidazole-5-sulfonamide?
The InChIKey is ALJIGGSBFMXBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2S/c1-3-9-8(6-15(2)14-9)4-13-18(16,17)10-5-11-7-12-10/h5-7,13H,3-4H2,1-2H3,(H,11,12).
What are the key properties of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-imidazole-5-sulfonamide?
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-imidazole-5-sulfonamide has a molecular weight of 269.33 g/mol, XLogP of 0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 112550104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).