N-[2-(4-aminopyrazol-1-yl)ethyl]-1-methylpyrazole-4-sulfonamide

C9H14N6O2S — CID 113285935

IUPACN-[2-(4-aminopyrazol-1-yl)ethyl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCCn2cc(N)cn2)cn1
InChIInChI=1S/C9H14N6O2S/c1-14-7-9(5-11-14)18(16,17)13-2-3-15-6-8(10)4-12-15/h4-7,13H,2-3,10H2,1H3
InChIKeyVJOQPNPZWXDZMI-UHFFFAOYSA-N
MW270.32 g/mol
LogP-0.82
Rot. Bonds5

About N-[2-(4-aminopyrazol-1-yl)ethyl]-1-methylpyrazole-4-sulfonamide

N-[2-(4-aminopyrazol-1-yl)ethyl]-1-methylpyrazole-4-sulfonamide (PubChem CID 113285935) has the molecular formula C9H14N6O2S and a molecular weight of 270.32 g/mol. Its IUPAC name is N-[2-(4-aminopyrazol-1-yl)ethyl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-aminopyrazol-1-yl)ethyl]-1-methylpyrazole-4-sulfonamide
PubChem CID113285935
Molecular FormulaC9H14N6O2S
Molecular Weight270.32 g/mol
Exact Mass270.09
IUPAC NameN-[2-(4-aminopyrazol-1-yl)ethyl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCCn2cc(N)cn2)cn1
InChIInChI=1S/C9H14N6O2S/c1-14-7-9(5-11-14)18(16,17)13-2-3-15-6-8(10)4-12-15/h4-7,13H,2-3,10H2,1H3
InChIKeyVJOQPNPZWXDZMI-UHFFFAOYSA-N
XLogP-0.82
TPSA107.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(4-aminopyrazol-1-yl)ethyl]-4-methylbenzenesulfonamide
CID 115319861
1-methyl-N-(2-sulfamoylethyl)pyrazole-4-sulfonamide
CID 62063368
N-(2-chloroethyl)-1-methylpyrazole-4-sulfonamide
CID 62062630
N-[2-(4-aminopyrazol-1-yl)ethyl]propane-1-sulfonamide
CID 115319872
N-[2-(4-aminopyrazol-1-yl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 115319875
N-(3-chlorobutyl)-1-methylpyrazole-4-sulfonamide
CID 65032541
2-[(1-methylpyrazol-4-yl)sulfonylamino]ethanesulfonyl chloride
CID 81358188
N-[2-(4-aminopyrazol-1-yl)ethyl]-1H-imidazole-5-sulfonamide
CID 115319829
N-[2-(4-aminopyrazol-1-yl)ethyl]-1,1-difluoromethanesulfonamide
CID 115319879
N-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-1-methylpyrazole-4-sulfonamide
CID 94025310
N-(5-iodopentyl)-1-methylpyrazole-4-sulfonamide
CID 107322883
N-(6-chlorohexyl)-1-methylpyrazole-4-sulfonamide
CID 107849199

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminopyrazol-1-yl)ethyl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[2-(4-aminopyrazol-1-yl)ethyl]-1-methylpyrazole-4-sulfonamide (CID 113285935) is N-[2-(4-aminopyrazol-1-yl)ethyl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-(4-aminopyrazol-1-yl)ethyl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[2-(4-aminopyrazol-1-yl)ethyl]-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NCCn2cc(N)cn2)cn1.
What is the InChIKey of N-[2-(4-aminopyrazol-1-yl)ethyl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is VJOQPNPZWXDZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O2S/c1-14-7-9(5-11-14)18(16,17)13-2-3-15-6-8(10)4-12-15/h4-7,13H,2-3,10H2,1H3.
What are the key properties of N-[2-(4-aminopyrazol-1-yl)ethyl]-1-methylpyrazole-4-sulfonamide?
N-[2-(4-aminopyrazol-1-yl)ethyl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 270.32 g/mol, XLogP of -0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminopyrazol-1-yl)ethyl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 113285935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).