N-[(1-methylpyrazol-3-yl)methyl]propane-1-sulfonamide

C8H15N3O2S — CID 82875252

IUPACN-[(1-methylpyrazol-3-yl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1ccn(C)n1
InChIInChI=1S/C8H15N3O2S/c1-3-6-14(12,13)9-7-8-4-5-11(2)10-8/h4-5,9H,3,6-7H2,1-2H3
InChIKeyIFRWGGZALNQJOO-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.25
Rot. Bonds5

About N-[(1-methylpyrazol-3-yl)methyl]propane-1-sulfonamide

N-[(1-methylpyrazol-3-yl)methyl]propane-1-sulfonamide (PubChem CID 82875252) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is N-[(1-methylpyrazol-3-yl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1-methylpyrazol-3-yl)methyl]propane-1-sulfonamide
PubChem CID82875252
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC NameN-[(1-methylpyrazol-3-yl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1ccn(C)n1
InChIInChI=1S/C8H15N3O2S/c1-3-6-14(12,13)9-7-8-4-5-11(2)10-8/h4-5,9H,3,6-7H2,1-2H3
InChIKeyIFRWGGZALNQJOO-UHFFFAOYSA-N
XLogP0.25
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1-methylpyrazol-3-yl)methyl]propane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-methylpyrazol-3-yl)methyl]ethanesulfonamide
CID 22207761
2-(ethylamino)-N-[(1-methylpyrazol-3-yl)methyl]ethanesulfonamide
CID 82872869
4-amino-N-[(1-methylpyrazol-3-yl)methyl]butane-1-sulfonamide
CID 82881498
1-methyl-3-[(sulfamoylamino)methyl]pyrazole
CID 112548279
2-(4-aminophenyl)sulfanyl-N-[(1-methylpyrazol-3-yl)methyl]ethanesulfonamide
CID 82872802
2-(2-aminophenyl)sulfanyl-N-[(1-methylpyrazol-3-yl)methyl]ethanesulfonamide
CID 82872921
2-ethylsulfonyl-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 78924573
1-(2-aminophenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanesulfonamide
CID 82882627
N-[2-(1-methylpyrazol-3-yl)ethyl]ethanesulfonamide
CID 104626606
4-butyl-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 22207734
3,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 82872630
4-(ethylaminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82873365

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-3-yl)methyl]propane-1-sulfonamide?
The IUPAC name of N-[(1-methylpyrazol-3-yl)methyl]propane-1-sulfonamide (CID 82875252) is N-[(1-methylpyrazol-3-yl)methyl]propane-1-sulfonamide.
What is the SMILES notation for N-[(1-methylpyrazol-3-yl)methyl]propane-1-sulfonamide?
The canonical SMILES for N-[(1-methylpyrazol-3-yl)methyl]propane-1-sulfonamide is CCCS(=O)(=O)NCc1ccn(C)n1.
What is the InChIKey of N-[(1-methylpyrazol-3-yl)methyl]propane-1-sulfonamide?
The InChIKey is IFRWGGZALNQJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-3-6-14(12,13)9-7-8-4-5-11(2)10-8/h4-5,9H,3,6-7H2,1-2H3.
What are the key properties of N-[(1-methylpyrazol-3-yl)methyl]propane-1-sulfonamide?
N-[(1-methylpyrazol-3-yl)methyl]propane-1-sulfonamide has a molecular weight of 217.29 g/mol, XLogP of 0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-3-yl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 82875252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).