N-[3-[(1-benzylpyrazol-4-yl)methylamino]propyl]methanesulfonamide

C15H22N4O2S — CID 86776302

IUPACN-[3-[(1-benzylpyrazol-4-yl)methylamino]propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCNCc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C15H22N4O2S/c1-22(20,21)18-9-5-8-16-10-15-11-17-19(13-15)12-14-6-3-2-4-7-14/h2-4,6-7,11,13,16,18H,5,8-10,12H2,1H3
InChIKeyMVHRWASBFONFIX-UHFFFAOYSA-N
MW322.43 g/mol
LogP0.96
Rot. Bonds9

About N-[3-[(1-benzylpyrazol-4-yl)methylamino]propyl]methanesulfonamide

N-[3-[(1-benzylpyrazol-4-yl)methylamino]propyl]methanesulfonamide (PubChem CID 86776302) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is N-[3-[(1-benzylpyrazol-4-yl)methylamino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(1-benzylpyrazol-4-yl)methylamino]propyl]methanesulfonamide
PubChem CID86776302
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC NameN-[3-[(1-benzylpyrazol-4-yl)methylamino]propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCNCc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C15H22N4O2S/c1-22(20,21)18-9-5-8-16-10-15-11-17-19(13-15)12-14-6-3-2-4-7-14/h2-4,6-7,11,13,16,18H,5,8-10,12H2,1H3
InChIKeyMVHRWASBFONFIX-UHFFFAOYSA-N
XLogP0.96
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-[(1-benzylpyrazol-4-yl)methylamino]propyl]methanesulfonamide 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-benzylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 55025337
N'-[(1-benzylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 60888359
4-[(1-benzylpyrazol-4-yl)methylamino]butanoic acid
CID 60782827
N-[(1-benzylpyrazol-4-yl)methyl]-4,4,4-trifluorobutan-1-amine
CID 79037268
N-[(1-benzylpyrazol-4-yl)methyl]-3-propan-2-yloxypropan-1-amine
CID 43392652
2-[(1-benzylpyrazol-4-yl)methylamino]ethanol;hydrochloride
CID 54592708
4-[[(1-benzylpyrazol-4-yl)methylamino]methyl]benzenesulfonamide
CID 122198913
3-[3-[(1-benzylpyrazol-4-yl)methylamino]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 31559652
N-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]ethyl]methanesulfonamide
CID 64828582
3-(1-benzylpyrazol-4-yl)-N-ethylpropan-1-amine
CID 62717964
3-(1-benzylpyrazol-4-yl)-N-propylpropan-1-amine
CID 62717965
N-[(1-benzylpyrazol-4-yl)methyl]-4-methylpiperazine-1-sulfonamide
CID 146105041

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1-benzylpyrazol-4-yl)methylamino]propyl]methanesulfonamide?
The IUPAC name of N-[3-[(1-benzylpyrazol-4-yl)methylamino]propyl]methanesulfonamide (CID 86776302) is N-[3-[(1-benzylpyrazol-4-yl)methylamino]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(1-benzylpyrazol-4-yl)methylamino]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[(1-benzylpyrazol-4-yl)methylamino]propyl]methanesulfonamide is CS(=O)(=O)NCCCNCc1cnn(Cc2ccccc2)c1.
What is the InChIKey of N-[3-[(1-benzylpyrazol-4-yl)methylamino]propyl]methanesulfonamide?
The InChIKey is MVHRWASBFONFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-22(20,21)18-9-5-8-16-10-15-11-17-19(13-15)12-14-6-3-2-4-7-14/h2-4,6-7,11,13,16,18H,5,8-10,12H2,1H3.
What are the key properties of N-[3-[(1-benzylpyrazol-4-yl)methylamino]propyl]methanesulfonamide?
N-[3-[(1-benzylpyrazol-4-yl)methylamino]propyl]methanesulfonamide has a molecular weight of 322.43 g/mol, XLogP of 0.96, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1-benzylpyrazol-4-yl)methylamino]propyl]methanesulfonamide is sourced from PubChem (CID 86776302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).