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

C6H12N4O2S — CID 79504292

IUPACN-[4-(aminomethyl)-1-methylpyrazol-5-yl]methanesulfonamide
SMILESCn1ncc(CN)c1NS(C)(=O)=O
InChIInChI=1S/C6H12N4O2S/c1-10-6(9-13(2,11)12)5(3-7)4-8-10/h4,9H,3,7H2,1-2H3
InChIKeyDHHALXFTHXDOAA-UHFFFAOYSA-N
MW204.25 g/mol
LogP-0.75
Rot. Bonds3

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

N-[4-(aminomethyl)-1-methylpyrazol-5-yl]methanesulfonamide (PubChem CID 79504292) has the molecular formula C6H12N4O2S and a molecular weight of 204.25 g/mol. Its IUPAC name is N-[4-(aminomethyl)-1-methylpyrazol-5-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-1-methylpyrazol-5-yl]methanesulfonamide
PubChem CID79504292
Molecular FormulaC6H12N4O2S
Molecular Weight204.25 g/mol
Exact Mass204.07
IUPAC NameN-[4-(aminomethyl)-1-methylpyrazol-5-yl]methanesulfonamide
SMILESCn1ncc(CN)c1NS(C)(=O)=O
InChIInChI=1S/C6H12N4O2S/c1-10-6(9-13(2,11)12)5(3-7)4-8-10/h4,9H,3,7H2,1-2H3
InChIKeyDHHALXFTHXDOAA-UHFFFAOYSA-N
XLogP-0.75
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 ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-1-methylpyrazol-5-yl]methanesulfonamide?
The IUPAC name of N-[4-(aminomethyl)-1-methylpyrazol-5-yl]methanesulfonamide (CID 79504292) is N-[4-(aminomethyl)-1-methylpyrazol-5-yl]methanesulfonamide.
What is the SMILES notation for N-[4-(aminomethyl)-1-methylpyrazol-5-yl]methanesulfonamide?
The canonical SMILES for N-[4-(aminomethyl)-1-methylpyrazol-5-yl]methanesulfonamide is Cn1ncc(CN)c1NS(C)(=O)=O.
What is the InChIKey of N-[4-(aminomethyl)-1-methylpyrazol-5-yl]methanesulfonamide?
The InChIKey is DHHALXFTHXDOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O2S/c1-10-6(9-13(2,11)12)5(3-7)4-8-10/h4,9H,3,7H2,1-2H3.
What are the key properties of N-[4-(aminomethyl)-1-methylpyrazol-5-yl]methanesulfonamide?
N-[4-(aminomethyl)-1-methylpyrazol-5-yl]methanesulfonamide has a molecular weight of 204.25 g/mol, XLogP of -0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-1-methylpyrazol-5-yl]methanesulfonamide is sourced from PubChem (CID 79504292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).