N-[(5-amino-1-methylpyrazol-4-yl)methyl]methanesulfonamide

C6H12N4O2S — CID 79523433

IUPACN-[(5-amino-1-methylpyrazol-4-yl)methyl]methanesulfonamide
SMILESCn1ncc(CNS(C)(=O)=O)c1N
InChIInChI=1S/C6H12N4O2S/c1-10-6(7)5(3-8-10)4-9-13(2,11)12/h3,9H,4,7H2,1-2H3
InChIKeyQEMGFTWCLILHPW-UHFFFAOYSA-N
MW204.25 g/mol
LogP-0.95
Rot. Bonds3

About N-[(5-amino-1-methylpyrazol-4-yl)methyl]methanesulfonamide

N-[(5-amino-1-methylpyrazol-4-yl)methyl]methanesulfonamide (PubChem CID 79523433) has the molecular formula C6H12N4O2S and a molecular weight of 204.25 g/mol. Its IUPAC name is N-[(5-amino-1-methylpyrazol-4-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(5-amino-1-methylpyrazol-4-yl)methyl]methanesulfonamide
PubChem CID79523433
Molecular FormulaC6H12N4O2S
Molecular Weight204.25 g/mol
Exact Mass204.07
IUPAC NameN-[(5-amino-1-methylpyrazol-4-yl)methyl]methanesulfonamide
SMILESCn1ncc(CNS(C)(=O)=O)c1N
InChIInChI=1S/C6H12N4O2S/c1-10-6(7)5(3-8-10)4-9-13(2,11)12/h3,9H,4,7H2,1-2H3
InChIKeyQEMGFTWCLILHPW-UHFFFAOYSA-N
XLogP-0.95
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1-methylpyrazol-4-yl)methyl]methanesulfonamide?
The IUPAC name of N-[(5-amino-1-methylpyrazol-4-yl)methyl]methanesulfonamide (CID 79523433) is N-[(5-amino-1-methylpyrazol-4-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(5-amino-1-methylpyrazol-4-yl)methyl]methanesulfonamide?
The canonical SMILES for N-[(5-amino-1-methylpyrazol-4-yl)methyl]methanesulfonamide is Cn1ncc(CNS(C)(=O)=O)c1N.
What is the InChIKey of N-[(5-amino-1-methylpyrazol-4-yl)methyl]methanesulfonamide?
The InChIKey is QEMGFTWCLILHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O2S/c1-10-6(7)5(3-8-10)4-9-13(2,11)12/h3,9H,4,7H2,1-2H3.
What are the key properties of N-[(5-amino-1-methylpyrazol-4-yl)methyl]methanesulfonamide?
N-[(5-amino-1-methylpyrazol-4-yl)methyl]methanesulfonamide has a molecular weight of 204.25 g/mol, XLogP of -0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-1-methylpyrazol-4-yl)methyl]methanesulfonamide is sourced from PubChem (CID 79523433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).