1-methylsulfonyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propan-2-amine

C14H19N3O2S — CID 64629153

IUPAC1-methylsulfonyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propan-2-amine
SMILESCC(CS(C)(=O)=O)NCc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C14H19N3O2S/c1-11(10-20(2,18)19)15-9-12-3-5-13(6-4-12)14-7-8-16-17-14/h3-8,11,15H,9-10H2,1-2H3,(H,16,17)
InChIKeyXURARMDLRYSNSI-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.60
Rot. Bonds6

About 1-methylsulfonyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propan-2-amine

1-methylsulfonyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propan-2-amine (PubChem CID 64629153) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-methylsulfonyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound Name1-methylsulfonyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propan-2-amine
PubChem CID64629153
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name1-methylsulfonyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propan-2-amine
SMILESCC(CS(C)(=O)=O)NCc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C14H19N3O2S/c1-11(10-20(2,18)19)15-9-12-3-5-13(6-4-12)14-7-8-16-17-14/h3-8,11,15H,9-10H2,1-2H3,(H,16,17)
InChIKeyXURARMDLRYSNSI-UHFFFAOYSA-N
XLogP1.60
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-methylsulfonyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propan-2-amine 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,N-dimethyl-1-(4-methylphenyl)-N'-[(5-methyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine
CID 56820927
1-(2-methylphenyl)sulfonyl-2-(1H-pyrazol-5-yl)piperidine
CID 118741478
N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1-phenylethanamine
CID 3306064
5-(ethylsulfonyl)-3-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 53185523
2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-(methylsulfonylmethyl)pyridine
CID 74241186
N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-4,5,6,7-tetrahydro-1H-indazol-5-amine
CID 84595452
2-methylsulfonyl-1-phenyl-N-(1H-pyrazol-5-ylmethyl)ethanamine
CID 86793549
2-benzylsulfonyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 86808992
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-methylsulfonyl-1-phenylethanamine
CID 91648380
4-methyl-3-methylsulfonyl-N-(1H-pyrazol-5-ylmethyl)aniline
CID 91660237
1-(3-fluoro-4-methylphenyl)-N-(1H-pyrazol-5-ylmethyl)methanesulfonamide
CID 127266285
1-(benzylsulfonyl)-4-(1H-pyrazol-3-yl)piperidine
CID 131911683

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propan-2-amine?
The IUPAC name of 1-methylsulfonyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propan-2-amine (CID 64629153) is 1-methylsulfonyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for 1-methylsulfonyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propan-2-amine?
The canonical SMILES for 1-methylsulfonyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propan-2-amine is CC(CS(C)(=O)=O)NCc1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of 1-methylsulfonyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propan-2-amine?
The InChIKey is XURARMDLRYSNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-11(10-20(2,18)19)15-9-12-3-5-13(6-4-12)14-7-8-16-17-14/h3-8,11,15H,9-10H2,1-2H3,(H,16,17).
What are the key properties of 1-methylsulfonyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propan-2-amine?
1-methylsulfonyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propan-2-amine has a molecular weight of 293.39 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 64629153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).