5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-methyl-3-propylpyrazol-4-amine

C15H19N3O2S — CID 115478297

IUPAC5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-methyl-3-propylpyrazol-4-amine
SMILESCCCc1nn(C)c(Sc2ccc3c(c2)OCCO3)c1N
InChIInChI=1S/C15H19N3O2S/c1-3-4-11-14(16)15(18(2)17-11)21-10-5-6-12-13(9-10)20-8-7-19-12/h5-6,9H,3-4,7-8,16H2,1-2H3
InChIKeyQICFJDDHNIAVPI-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.88
Rot. Bonds4

About 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-methyl-3-propylpyrazol-4-amine

5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-methyl-3-propylpyrazol-4-amine (PubChem CID 115478297) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-methyl-3-propylpyrazol-4-amine.

Molecular Properties

Compound Name5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-methyl-3-propylpyrazol-4-amine
PubChem CID115478297
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-methyl-3-propylpyrazol-4-amine
SMILESCCCc1nn(C)c(Sc2ccc3c(c2)OCCO3)c1N
InChIInChI=1S/C15H19N3O2S/c1-3-4-11-14(16)15(18(2)17-11)21-10-5-6-12-13(9-10)20-8-7-19-12/h5-6,9H,3-4,7-8,16H2,1-2H3
InChIKeyQICFJDDHNIAVPI-UHFFFAOYSA-N
XLogP2.88
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-methyl-3-propylpyrazol-4-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

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-3-propylpyrazol-5-amine
CID 43336721
5-(2-fluorophenyl)sulfanyl-1-methyl-3-propylpyrazol-4-amine
CID 66019510
5-N-(1,3-benzodioxol-5-yl)-1-methyl-3-propylpyrazole-4,5-diamine
CID 66017475
1-methyl-5-(oxetan-3-ylsulfanyl)-3-propylpyrazol-4-amine
CID 79327155
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2-ethoxyaniline
CID 115478280
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propylpyrimidin-4-amine
CID 80946171
2-[4-bromo-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-3-yl]ethanamine
CID 84611451
2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2-methylphenyl]ethanamine
CID 115479306
3-(4-amino-1-methyl-3-propylpyrazol-5-yl)sulfanylpropan-1-ol
CID 66114934
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-5-methylaniline
CID 115478283
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethyl-2-propylimidazol-4-amine
CID 62219055
1-[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propyl]pyrazol-3-amine
CID 115478402

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-methyl-3-propylpyrazol-4-amine?
The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-methyl-3-propylpyrazol-4-amine (CID 115478297) is 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-methyl-3-propylpyrazol-4-amine.
What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-methyl-3-propylpyrazol-4-amine?
The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-methyl-3-propylpyrazol-4-amine is CCCc1nn(C)c(Sc2ccc3c(c2)OCCO3)c1N.
What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-methyl-3-propylpyrazol-4-amine?
The InChIKey is QICFJDDHNIAVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-3-4-11-14(16)15(18(2)17-11)21-10-5-6-12-13(9-10)20-8-7-19-12/h5-6,9H,3-4,7-8,16H2,1-2H3.
What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-methyl-3-propylpyrazol-4-amine?
5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-methyl-3-propylpyrazol-4-amine has a molecular weight of 305.40 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-methyl-3-propylpyrazol-4-amine is sourced from PubChem (CID 115478297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).