1-[2-(aminomethyl)phenyl]-N-(1-ethylpyrazol-4-yl)methanesulfonamide

C13H18N4O2S — CID 43543616

IUPAC1-[2-(aminomethyl)phenyl]-N-(1-ethylpyrazol-4-yl)methanesulfonamide
SMILESCCn1cc(NS(=O)(=O)Cc2ccccc2CN)cn1
InChIInChI=1S/C13H18N4O2S/c1-2-17-9-13(8-15-17)16-20(18,19)10-12-6-4-3-5-11(12)7-14/h3-6,8-9,16H,2,7,10,14H2,1H3
InChIKeyWQMMTMBKEZHQMU-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.30
Rot. Bonds6

About 1-[2-(aminomethyl)phenyl]-N-(1-ethylpyrazol-4-yl)methanesulfonamide

1-[2-(aminomethyl)phenyl]-N-(1-ethylpyrazol-4-yl)methanesulfonamide (PubChem CID 43543616) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 1-[2-(aminomethyl)phenyl]-N-(1-ethylpyrazol-4-yl)methanesulfonamide.

Molecular Properties

Compound Name1-[2-(aminomethyl)phenyl]-N-(1-ethylpyrazol-4-yl)methanesulfonamide
PubChem CID43543616
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name1-[2-(aminomethyl)phenyl]-N-(1-ethylpyrazol-4-yl)methanesulfonamide
SMILESCCn1cc(NS(=O)(=O)Cc2ccccc2CN)cn1
InChIInChI=1S/C13H18N4O2S/c1-2-17-9-13(8-15-17)16-20(18,19)10-12-6-4-3-5-11(12)7-14/h3-6,8-9,16H,2,7,10,14H2,1H3
InChIKeyWQMMTMBKEZHQMU-UHFFFAOYSA-N
XLogP1.30
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-(aminomethyl)phenyl]-N-(1-ethylpyrazol-4-yl)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

1-(2-aminophenyl)-N-(1-benzylpyrazol-4-yl)methanesulfonamide
CID 113227843
N-(1-ethylpyrazol-4-yl)-2-hydroxyethanesulfonamide
CID 79026430
3-(aminomethyl)-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide
CID 63287880
N-(1-ethylpyrazol-4-yl)-4-hydrazinylbenzenesulfonamide
CID 43543964
N-(1-benzylpyrazol-4-yl)propane-1-sulfonamide
CID 61061450
2-[(1-ethylpyrazol-4-yl)amino]benzenesulfonamide
CID 43543696
1-ethyl-N-(propan-2-ylsulfonimidoyl)pyrazol-4-amine
CID 164656091
2-amino-N-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 62147505
N-(1-ethylpyrazol-4-yl)-2-nitrobenzenesulfonamide
CID 39836912
4-[(1-ethylpyrazol-4-yl)sulfamoyl]benzoic acid
CID 43430297
1-[2-(aminomethyl)phenyl]-N-(3-ethylpentan-3-yl)methanesulfonamide
CID 65038831
5-(2-aminoethyl)-N-(1-ethylpyrazol-4-yl)thiophene-2-sulfonamide
CID 43543966

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)phenyl]-N-(1-ethylpyrazol-4-yl)methanesulfonamide?
The IUPAC name of 1-[2-(aminomethyl)phenyl]-N-(1-ethylpyrazol-4-yl)methanesulfonamide (CID 43543616) is 1-[2-(aminomethyl)phenyl]-N-(1-ethylpyrazol-4-yl)methanesulfonamide.
What is the SMILES notation for 1-[2-(aminomethyl)phenyl]-N-(1-ethylpyrazol-4-yl)methanesulfonamide?
The canonical SMILES for 1-[2-(aminomethyl)phenyl]-N-(1-ethylpyrazol-4-yl)methanesulfonamide is CCn1cc(NS(=O)(=O)Cc2ccccc2CN)cn1.
What is the InChIKey of 1-[2-(aminomethyl)phenyl]-N-(1-ethylpyrazol-4-yl)methanesulfonamide?
The InChIKey is WQMMTMBKEZHQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-2-17-9-13(8-15-17)16-20(18,19)10-12-6-4-3-5-11(12)7-14/h3-6,8-9,16H,2,7,10,14H2,1H3.
What are the key properties of 1-[2-(aminomethyl)phenyl]-N-(1-ethylpyrazol-4-yl)methanesulfonamide?
1-[2-(aminomethyl)phenyl]-N-(1-ethylpyrazol-4-yl)methanesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)phenyl]-N-(1-ethylpyrazol-4-yl)methanesulfonamide is sourced from PubChem (CID 43543616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).