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

C15H19N3O2 — CID 43336721

IUPAC4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-3-propylpyrazol-5-amine
SMILESCCCc1nn(C)c(N)c1-c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H19N3O2/c1-3-4-11-14(15(16)18(2)17-11)10-5-6-12-13(9-10)20-8-7-19-12/h5-6,9H,3-4,7-8,16H2,1-2H3
InChIKeyHHDRWVLVUPNXPB-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.39
Rot. Bonds3

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

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-3-propylpyrazol-5-amine (PubChem CID 43336721) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-3-propylpyrazol-5-amine.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-3-propylpyrazol-5-amine
PubChem CID43336721
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-3-propylpyrazol-5-amine
SMILESCCCc1nn(C)c(N)c1-c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H19N3O2/c1-3-4-11-14(15(16)18(2)17-11)10-5-6-12-13(9-10)20-8-7-19-12/h5-6,9H,3-4,7-8,16H2,1-2H3
InChIKeyHHDRWVLVUPNXPB-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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Related Compounds

4-(1,3-benzodioxol-5-yl)-1-methyl-3-(2-methylbutyl)pyrazol-5-amine
CID 114875014
3-cyclopropyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-5-amine
CID 43336723
5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-methyl-3-propylpyrazol-4-amine
CID 115478297
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propylpyrimidin-4-amine
CID 80946171
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethyl-2-propylimidazol-4-amine
CID 62219055
2-[4-bromo-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-3-yl]ethanamine
CID 84611451
3-butyl-1-methyl-4-pyridin-4-ylpyrazol-5-amine
CID 80524694
5-N-(1,3-benzodioxol-5-yl)-1-methyl-3-propylpyrazole-4,5-diamine
CID 66017475
1-methyl-3-(3-methylbutyl)-4-(4-propan-2-ylphenyl)pyrazol-5-amine
CID 43336708
1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-3-yl]ethanone
CID 82132469
3-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methyl-4-propylpyrazol-5-amine
CID 79405618
4-(1,3-benzodioxol-5-yl)-3-hexyl-1,2-oxazol-5-amine
CID 114753024

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-3-propylpyrazol-5-amine?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-3-propylpyrazol-5-amine (CID 43336721) is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-3-propylpyrazol-5-amine.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-3-propylpyrazol-5-amine?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-3-propylpyrazol-5-amine is CCCc1nn(C)c(N)c1-c1ccc2c(c1)OCCO2.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-3-propylpyrazol-5-amine?
The InChIKey is HHDRWVLVUPNXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-4-11-14(15(16)18(2)17-11)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 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-3-propylpyrazol-5-amine?
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-3-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 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-3-propylpyrazol-5-amine is sourced from PubChem (CID 43336721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).