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

C15H19N3O2 — CID 79405618

IUPAC3-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methyl-4-propylpyrazol-5-amine
SMILESCCCc1c(-c2cccc3c2OCCO3)nn(C)c1N
InChIInChI=1S/C15H19N3O2/c1-3-5-11-13(17-18(2)15(11)16)10-6-4-7-12-14(10)20-9-8-19-12/h4,6-7H,3,5,8-9,16H2,1-2H3
InChIKeyIYHHMYIBHLIDHK-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.39
Rot. Bonds3

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

3-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methyl-4-propylpyrazol-5-amine (PubChem CID 79405618) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methyl-4-propylpyrazol-5-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methyl-4-propylpyrazol-5-amine
PubChem CID79405618
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methyl-4-propylpyrazol-5-amine
SMILESCCCc1c(-c2cccc3c2OCCO3)nn(C)c1N
InChIInChI=1S/C15H19N3O2/c1-3-5-11-13(17-18(2)15(11)16)10-6-4-7-12-14(10)20-9-8-19-12/h4,6-7H,3,5,8-9,16H2,1-2H3
InChIKeyIYHHMYIBHLIDHK-UHFFFAOYSA-N
XLogP2.39
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methyl-4-propylpyrazol-5-amine?
The IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methyl-4-propylpyrazol-5-amine (CID 79405618) is 3-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methyl-4-propylpyrazol-5-amine.
What is the SMILES notation for 3-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methyl-4-propylpyrazol-5-amine?
The canonical SMILES for 3-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methyl-4-propylpyrazol-5-amine is CCCc1c(-c2cccc3c2OCCO3)nn(C)c1N.
What is the InChIKey of 3-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methyl-4-propylpyrazol-5-amine?
The InChIKey is IYHHMYIBHLIDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-5-11-13(17-18(2)15(11)16)10-6-4-7-12-14(10)20-9-8-19-12/h4,6-7H,3,5,8-9,16H2,1-2H3.
What are the key properties of 3-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methyl-4-propylpyrazol-5-amine?
3-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methyl-4-propylpyrazol-5-amine has a molecular weight of 273.34 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methyl-4-propylpyrazol-5-amine is sourced from PubChem (CID 79405618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).