5-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide

C9H14N6O2S — CID 61140719

IUPAC5-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide
SMILESCN(Cc1nccn1C)S(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C9H14N6O2S/c1-14-4-3-11-8(14)6-15(2)18(16,17)7-5-12-13-9(7)10/h3-5H,6H2,1-2H3,(H3,10,12,13)
InChIKeyJIUFSCTXABUSNQ-UHFFFAOYSA-N
MW270.32 g/mol
LogP-0.45
Rot. Bonds4

About 5-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide

5-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide (PubChem CID 61140719) has the molecular formula C9H14N6O2S and a molecular weight of 270.32 g/mol. Its IUPAC name is 5-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide
PubChem CID61140719
Molecular FormulaC9H14N6O2S
Molecular Weight270.32 g/mol
Exact Mass270.09
IUPAC Name5-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide
SMILESCN(Cc1nccn1C)S(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C9H14N6O2S/c1-14-4-3-11-8(14)6-15(2)18(16,17)7-5-12-13-9(7)10/h3-5H,6H2,1-2H3,(H3,10,12,13)
InChIKeyJIUFSCTXABUSNQ-UHFFFAOYSA-N
XLogP-0.45
TPSA109.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-(2-propan-2-ylpyrazol-3-yl)-1H-imidazole-5-sulfonamide
CID 62998508
N-{[1-(1H-imidazol-1-ylmethyl)cyclopropyl]methyl}-1H-pyrazole-4-sulfonamide
CID 122558098
N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 47268220
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 47291822
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 47363855
N-(2-imidazol-1-ylethyl)-1H-pyrazole-4-sulfonamide
CID 47364355
N-(3-imidazol-1-ylpropyl)-1H-pyrazole-4-sulfonamide
CID 54937214
5-amino-N-(1-imidazol-1-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide
CID 54958616
2-methyl-1-propyl-N-(1H-pyrazol-4-yl)imidazole-4-sulfonamide
CID 55030678
5-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 55038242
7-(1H-pyrazol-4-ylsulfonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 55145010
3-amino-N-(1H-imidazol-2-yl)-1-propylpyrazole-4-sulfonamide
CID 55215100

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide (CID 61140719) is 5-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide is CN(Cc1nccn1C)S(=O)(=O)c1cn[nH]c1N.
What is the InChIKey of 5-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is JIUFSCTXABUSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O2S/c1-14-4-3-11-8(14)6-15(2)18(16,17)7-5-12-13-9(7)10/h3-5H,6H2,1-2H3,(H3,10,12,13).
What are the key properties of 5-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide?
5-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 270.32 g/mol, XLogP of -0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61140719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).