N-[[3-(aminomethyl)phenyl]methyl]-N,1-dimethylpyrazole-4-sulfonamide

C13H18N4O2S — CID 62062762

IUPACN-[[3-(aminomethyl)phenyl]methyl]-N,1-dimethylpyrazole-4-sulfonamide
SMILESCN(Cc1cccc(CN)c1)S(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C13H18N4O2S/c1-16-10-13(8-15-16)20(18,19)17(2)9-12-5-3-4-11(6-12)7-14/h3-6,8,10H,7,9,14H2,1-2H3
InChIKeyFHAGMEHXEWGZMP-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.70
Rot. Bonds5

About N-[[3-(aminomethyl)phenyl]methyl]-N,1-dimethylpyrazole-4-sulfonamide

N-[[3-(aminomethyl)phenyl]methyl]-N,1-dimethylpyrazole-4-sulfonamide (PubChem CID 62062762) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-[[3-(aminomethyl)phenyl]methyl]-N,1-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[[3-(aminomethyl)phenyl]methyl]-N,1-dimethylpyrazole-4-sulfonamide
PubChem CID62062762
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC NameN-[[3-(aminomethyl)phenyl]methyl]-N,1-dimethylpyrazole-4-sulfonamide
SMILESCN(Cc1cccc(CN)c1)S(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C13H18N4O2S/c1-16-10-13(8-15-16)20(18,19)17(2)9-12-5-3-4-11(6-12)7-14/h3-6,8,10H,7,9,14H2,1-2H3
InChIKeyFHAGMEHXEWGZMP-UHFFFAOYSA-N
XLogP0.70
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(aminomethyl)phenyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 55030523
N-[(1-ethylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-4-sulfonamide
CID 29090600
N-[4-(aminomethyl)phenyl]-N-cyclopropyl-1-methylpyrazole-4-sulfonamide
CID 62061535
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-methylsulfonylbenzenesulfonamide
CID 134002545
6-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridine-3-sulfonamide
CID 114613243
N-[[3-(aminomethyl)phenyl]methyl]-3-fluoro-N-methylpyridine-2-sulfonamide
CID 103298452
2-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]acetic acid
CID 43361158
N-[[3-(aminomethyl)phenyl]methyl]-N-methylcyclohexanesulfonamide
CID 61065125
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-4-sulfonamide
CID 29090602
3-amino-5-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 63322968
[3-(1-methylpyrazol-4-yl)phenyl]methanamine
CID 61033657
4-bromo-3-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 103697227

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-N,1-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-N,1-dimethylpyrazole-4-sulfonamide (CID 62062762) is N-[[3-(aminomethyl)phenyl]methyl]-N,1-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[[3-(aminomethyl)phenyl]methyl]-N,1-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[[3-(aminomethyl)phenyl]methyl]-N,1-dimethylpyrazole-4-sulfonamide is CN(Cc1cccc(CN)c1)S(=O)(=O)c1cnn(C)c1.
What is the InChIKey of N-[[3-(aminomethyl)phenyl]methyl]-N,1-dimethylpyrazole-4-sulfonamide?
The InChIKey is FHAGMEHXEWGZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-16-10-13(8-15-16)20(18,19)17(2)9-12-5-3-4-11(6-12)7-14/h3-6,8,10H,7,9,14H2,1-2H3.
What are the key properties of N-[[3-(aminomethyl)phenyl]methyl]-N,1-dimethylpyrazole-4-sulfonamide?
N-[[3-(aminomethyl)phenyl]methyl]-N,1-dimethylpyrazole-4-sulfonamide has a molecular weight of 294.38 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)phenyl]methyl]-N,1-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 62062762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).