N-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]-1H-pyrazole-5-sulfonamide

C13H14N4O2S — CID 102693801

IUPACN-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]-1H-pyrazole-5-sulfonamide
SMILESNCC#Cc1ccc(CNS(=O)(=O)c2ccn[nH]2)cc1
InChIInChI=1S/C13H14N4O2S/c14-8-1-2-11-3-5-12(6-4-11)10-16-20(18,19)13-7-9-15-17-13/h3-7,9,16H,8,10,14H2,(H,15,17)
InChIKeyFAMAEOWDQBQYBO-UHFFFAOYSA-N
MW290.35 g/mol
LogP0.20
Rot. Bonds4

About N-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]-1H-pyrazole-5-sulfonamide

N-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]-1H-pyrazole-5-sulfonamide (PubChem CID 102693801) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is N-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]-1H-pyrazole-5-sulfonamide
PubChem CID102693801
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC NameN-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]-1H-pyrazole-5-sulfonamide
SMILESNCC#Cc1ccc(CNS(=O)(=O)c2ccn[nH]2)cc1
InChIInChI=1S/C13H14N4O2S/c14-8-1-2-11-3-5-12(6-4-11)10-16-20(18,19)13-7-9-15-17-13/h3-7,9,16H,8,10,14H2,(H,15,17)
InChIKeyFAMAEOWDQBQYBO-UHFFFAOYSA-N
XLogP0.20
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]-1H-pyrazole-5-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-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-1H-pyrazole-5-sulfonamide
CID 102693806
N-[[4-(dimethylamino)phenyl]methyl]-1H-pyrazole-5-sulfonamide
CID 102692415
4-(3-aminoprop-1-ynyl)-N-benzylbenzenesulfonamide
CID 60845155
N-(1H-pyrrol-3-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 106385117
N-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]-2-methylpropane-2-sulfonamide
CID 63688636
4-(3-aminoprop-1-ynyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 60846057
N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-1H-pyrazole-5-sulfonamide
CID 102693792
N-[(3,4-dimethoxyphenyl)methyl]-1H-pyrazole-5-sulfonamide
CID 102691685
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 102692392
4-(3-aminoprop-1-ynyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106897525
N-(pyridazin-3-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 106897420
N-prop-2-enyl-1H-pyrazole-5-sulfonamide
CID 102690992

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]-1H-pyrazole-5-sulfonamide (CID 102693801) is N-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]-1H-pyrazole-5-sulfonamide is NCC#Cc1ccc(CNS(=O)(=O)c2ccn[nH]2)cc1.
What is the InChIKey of N-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]-1H-pyrazole-5-sulfonamide?
The InChIKey is FAMAEOWDQBQYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c14-8-1-2-11-3-5-12(6-4-11)10-16-20(18,19)13-7-9-15-17-13/h3-7,9,16H,8,10,14H2,(H,15,17).
What are the key properties of N-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]-1H-pyrazole-5-sulfonamide?
N-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]-1H-pyrazole-5-sulfonamide has a molecular weight of 290.35 g/mol, XLogP of 0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102693801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).