3-amino-N-(3-methylsulfanylphenyl)-1-propylpyrazole-4-sulfonamide

C13H18N4O2S2 — CID 60809409

IUPAC3-amino-N-(3-methylsulfanylphenyl)-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)Nc2cccc(SC)c2)c(N)n1
InChIInChI=1S/C13H18N4O2S2/c1-3-7-17-9-12(13(14)15-17)21(18,19)16-10-5-4-6-11(8-10)20-2/h4-6,8-9,16H,3,7H2,1-2H3,(H2,14,15)
InChIKeyCTCHENYCUUNUJI-UHFFFAOYSA-N
MW326.45 g/mol
LogP2.40
Rot. Bonds6

About 3-amino-N-(3-methylsulfanylphenyl)-1-propylpyrazole-4-sulfonamide

3-amino-N-(3-methylsulfanylphenyl)-1-propylpyrazole-4-sulfonamide (PubChem CID 60809409) has the molecular formula C13H18N4O2S2 and a molecular weight of 326.45 g/mol. Its IUPAC name is 3-amino-N-(3-methylsulfanylphenyl)-1-propylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(3-methylsulfanylphenyl)-1-propylpyrazole-4-sulfonamide
PubChem CID60809409
Molecular FormulaC13H18N4O2S2
Molecular Weight326.45 g/mol
Exact Mass326.09
IUPAC Name3-amino-N-(3-methylsulfanylphenyl)-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)Nc2cccc(SC)c2)c(N)n1
InChIInChI=1S/C13H18N4O2S2/c1-3-7-17-9-12(13(14)15-17)21(18,19)16-10-5-4-6-11(8-10)20-2/h4-6,8-9,16H,3,7H2,1-2H3,(H2,14,15)
InChIKeyCTCHENYCUUNUJI-UHFFFAOYSA-N
XLogP2.40
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-amino-N-(3-methylsulfanylphenyl)-1-propylpyrazole-4-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

3-amino-N-(3,4-difluorophenyl)-1-propylpyrazole-4-sulfonamide
CID 60813521
3-amino-N-(2-methyl-4-pyridinyl)-1-propylpyrazole-4-sulfonamide
CID 79234839
3-amino-1-ethyl-N-(3-hydroxyphenyl)pyrazole-4-sulfonamide
CID 61167291
3-amino-N-(3-chloro-5-fluorophenyl)-1-propylpyrazole-4-sulfonamide
CID 107363544
3-amino-N-(2-methylphenyl)-1-propylpyrazole-4-sulfonamide
CID 60808427
3-amino-N-(1-ethylpyrazol-4-yl)-1-propylpyrazole-4-sulfonamide
CID 60808956
3-amino-N-(4-chloro-2-fluorophenyl)-1-propylpyrazole-4-sulfonamide
CID 61110443
3-amino-N-(2,5-dimethylpyrazol-3-yl)-1-propylpyrazole-4-sulfonamide
CID 60813517
3-amino-N-(2,4-dimethylphenyl)-1-propylpyrazole-4-sulfonamide
CID 60814863
3-amino-N-(2-chloro-4-fluorophenyl)-1-propylpyrazole-4-sulfonamide
CID 60808125
3-amino-N-(2-methoxyphenyl)-1-propylpyrazole-4-sulfonamide
CID 60810232
3-amino-2-methyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 28550882

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-methylsulfanylphenyl)-1-propylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-(3-methylsulfanylphenyl)-1-propylpyrazole-4-sulfonamide (CID 60809409) is 3-amino-N-(3-methylsulfanylphenyl)-1-propylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-(3-methylsulfanylphenyl)-1-propylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-(3-methylsulfanylphenyl)-1-propylpyrazole-4-sulfonamide is CCCn1cc(S(=O)(=O)Nc2cccc(SC)c2)c(N)n1.
What is the InChIKey of 3-amino-N-(3-methylsulfanylphenyl)-1-propylpyrazole-4-sulfonamide?
The InChIKey is CTCHENYCUUNUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S2/c1-3-7-17-9-12(13(14)15-17)21(18,19)16-10-5-4-6-11(8-10)20-2/h4-6,8-9,16H,3,7H2,1-2H3,(H2,14,15).
What are the key properties of 3-amino-N-(3-methylsulfanylphenyl)-1-propylpyrazole-4-sulfonamide?
3-amino-N-(3-methylsulfanylphenyl)-1-propylpyrazole-4-sulfonamide has a molecular weight of 326.45 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-methylsulfanylphenyl)-1-propylpyrazole-4-sulfonamide is sourced from PubChem (CID 60809409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).