N-[(5-amino-1H-pyrazol-4-yl)methyl]-1-methylpyrazole-4-sulfonamide

C8H12N6O2S — CID 79530011

IUPACN-[(5-amino-1H-pyrazol-4-yl)methyl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCc2cn[nH]c2N)cn1
InChIInChI=1S/C8H12N6O2S/c1-14-5-7(4-11-14)17(15,16)12-3-6-2-10-13-8(6)9/h2,4-5,12H,3H2,1H3,(H3,9,10,13)
InChIKeyYGFQUYBZYMPOIS-UHFFFAOYSA-N
MW256.29 g/mol
LogP-0.80
Rot. Bonds4

About N-[(5-amino-1H-pyrazol-4-yl)methyl]-1-methylpyrazole-4-sulfonamide

N-[(5-amino-1H-pyrazol-4-yl)methyl]-1-methylpyrazole-4-sulfonamide (PubChem CID 79530011) has the molecular formula C8H12N6O2S and a molecular weight of 256.29 g/mol. Its IUPAC name is N-[(5-amino-1H-pyrazol-4-yl)methyl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(5-amino-1H-pyrazol-4-yl)methyl]-1-methylpyrazole-4-sulfonamide
PubChem CID79530011
Molecular FormulaC8H12N6O2S
Molecular Weight256.29 g/mol
Exact Mass256.07
IUPAC NameN-[(5-amino-1H-pyrazol-4-yl)methyl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCc2cn[nH]c2N)cn1
InChIInChI=1S/C8H12N6O2S/c1-14-5-7(4-11-14)17(15,16)12-3-6-2-10-13-8(6)9/h2,4-5,12H,3H2,1H3,(H3,9,10,13)
InChIKeyYGFQUYBZYMPOIS-UHFFFAOYSA-N
XLogP-0.80
TPSA118.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-amino-1H-pyrazol-4-yl)methyl]-1-methylimidazole-4-sulfonamide
CID 79530759
N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-fluorobenzenesulfonamide
CID 79530004
N-[(3-amino-2-methylphenyl)methyl]-1-methylpyrazole-4-sulfonamide
CID 103110598
N-[(5-amino-2-methoxyphenyl)methyl]-1-methylpyrazole-4-sulfonamide
CID 62062082
N-[(5-amino-1H-pyrazol-4-yl)methyl]methanesulfonamide
CID 79530915
N-[(5-amino-1H-pyrazol-4-yl)methyl]ethanesulfonamide
CID 79530165
N-[(2-bromophenyl)methyl]-1-methylpyrazole-4-sulfonamide
CID 62049706
N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-bromo-3-methylbenzenesulfonamide
CID 79531351
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-methylsulfonylethanesulfonamide
CID 79530161
1-methyl-N-(2-sulfamoylethyl)pyrazole-4-sulfonamide
CID 62063368
N-(2-amino-2-cyclopropylethyl)-1-methylpyrazole-4-sulfonamide
CID 63765093
N-[(5-bromo-2-fluorophenyl)methyl]-1-methylpyrazole-4-sulfonamide
CID 47318060

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1H-pyrazol-4-yl)methyl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[(5-amino-1H-pyrazol-4-yl)methyl]-1-methylpyrazole-4-sulfonamide (CID 79530011) is N-[(5-amino-1H-pyrazol-4-yl)methyl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(5-amino-1H-pyrazol-4-yl)methyl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(5-amino-1H-pyrazol-4-yl)methyl]-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NCc2cn[nH]c2N)cn1.
What is the InChIKey of N-[(5-amino-1H-pyrazol-4-yl)methyl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is YGFQUYBZYMPOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6O2S/c1-14-5-7(4-11-14)17(15,16)12-3-6-2-10-13-8(6)9/h2,4-5,12H,3H2,1H3,(H3,9,10,13).
What are the key properties of N-[(5-amino-1H-pyrazol-4-yl)methyl]-1-methylpyrazole-4-sulfonamide?
N-[(5-amino-1H-pyrazol-4-yl)methyl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 256.29 g/mol, XLogP of -0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-1H-pyrazol-4-yl)methyl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 79530011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).