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

C8H12N6O2S — CID 79530759

IUPACN-[(5-amino-1H-pyrazol-4-yl)methyl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCc2cn[nH]c2N)c1
InChIInChI=1S/C8H12N6O2S/c1-14-4-7(10-5-14)17(15,16)12-3-6-2-11-13-8(6)9/h2,4-5,12H,3H2,1H3,(H3,9,11,13)
InChIKeyPJQFZFGMYCKTRJ-UHFFFAOYSA-N
MW256.29 g/mol
LogP-0.80
Rot. Bonds4

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

N-[(5-amino-1H-pyrazol-4-yl)methyl]-1-methylimidazole-4-sulfonamide (PubChem CID 79530759) 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-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(5-amino-1H-pyrazol-4-yl)methyl]-1-methylimidazole-4-sulfonamide
PubChem CID79530759
Molecular FormulaC8H12N6O2S
Molecular Weight256.29 g/mol
Exact Mass256.07
IUPAC NameN-[(5-amino-1H-pyrazol-4-yl)methyl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCc2cn[nH]c2N)c1
InChIInChI=1S/C8H12N6O2S/c1-14-4-7(10-5-14)17(15,16)12-3-6-2-11-13-8(6)9/h2,4-5,12H,3H2,1H3,(H3,9,11,13)
InChIKeyPJQFZFGMYCKTRJ-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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Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1H-pyrazol-4-yl)methyl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-[(5-amino-1H-pyrazol-4-yl)methyl]-1-methylimidazole-4-sulfonamide (CID 79530759) is N-[(5-amino-1H-pyrazol-4-yl)methyl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[(5-amino-1H-pyrazol-4-yl)methyl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[(5-amino-1H-pyrazol-4-yl)methyl]-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NCc2cn[nH]c2N)c1.
What is the InChIKey of N-[(5-amino-1H-pyrazol-4-yl)methyl]-1-methylimidazole-4-sulfonamide?
The InChIKey is PJQFZFGMYCKTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6O2S/c1-14-4-7(10-5-14)17(15,16)12-3-6-2-11-13-8(6)9/h2,4-5,12H,3H2,1H3,(H3,9,11,13).
What are the key properties of N-[(5-amino-1H-pyrazol-4-yl)methyl]-1-methylimidazole-4-sulfonamide?
N-[(5-amino-1H-pyrazol-4-yl)methyl]-1-methylimidazole-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-methylimidazole-4-sulfonamide is sourced from PubChem (CID 79530759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).