2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-pyrazol-4-yl]ethanamine

C14H17N3O2 — CID 82483994

IUPAC2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-pyrazol-4-yl]ethanamine
SMILESCc1[nH]nc(-c2ccc3c(c2)OCCO3)c1CCN
InChIInChI=1S/C14H17N3O2/c1-9-11(4-5-15)14(17-16-9)10-2-3-12-13(8-10)19-7-6-18-12/h2-3,8H,4-7,15H2,1H3,(H,16,17)
InChIKeyOSZGPSRKXPWYKE-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.66
Rot. Bonds3

About 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-pyrazol-4-yl]ethanamine

2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-pyrazol-4-yl]ethanamine (PubChem CID 82483994) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-pyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-pyrazol-4-yl]ethanamine
PubChem CID82483994
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-pyrazol-4-yl]ethanamine
SMILESCc1[nH]nc(-c2ccc3c(c2)OCCO3)c1CCN
InChIInChI=1S/C14H17N3O2/c1-9-11(4-5-15)14(17-16-9)10-2-3-12-13(8-10)19-7-6-18-12/h2-3,8H,4-7,15H2,1H3,(H,16,17)
InChIKeyOSZGPSRKXPWYKE-UHFFFAOYSA-N
XLogP1.66
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(1,3-benzodioxol-5-yl)-5-methyl-1H-pyrazol-4-yl]ethanamine
CID 82478929
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-pyrazole-4-carbaldehyde
CID 82118021
2-[3-(4-bromophenyl)-5-methyl-1H-pyrazol-4-yl]ethanamine
CID 82489297
2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidin-2-yl]ethanamine
CID 95474302
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-1H-pyrazole-4-carboxylic acid
CID 82124091
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4,5-dimethyl-1H-pyridazin-6-one
CID 106515201
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methylimidazo[1,2-a]pyridin-3-yl]ethanamine
CID 28866476
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridinyl]ethanamine
CID 117001756
2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazol-2-yl]ethanamine
CID 82295111
1-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-pyrazol-3-yl]phenyl]ethanone
CID 58913575
3-(2,4-dibutoxy-5-ethylphenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-pyrazole
CID 71161145
2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-pyrazol-3-yl]-4-ethylphenol
CID 143852727

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-pyrazol-4-yl]ethanamine?
The IUPAC name of 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-pyrazol-4-yl]ethanamine (CID 82483994) is 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-pyrazol-4-yl]ethanamine.
What is the SMILES notation for 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-pyrazol-4-yl]ethanamine?
The canonical SMILES for 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-pyrazol-4-yl]ethanamine is Cc1[nH]nc(-c2ccc3c(c2)OCCO3)c1CCN.
What is the InChIKey of 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-pyrazol-4-yl]ethanamine?
The InChIKey is OSZGPSRKXPWYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9-11(4-5-15)14(17-16-9)10-2-3-12-13(8-10)19-7-6-18-12/h2-3,8H,4-7,15H2,1H3,(H,16,17).
What are the key properties of 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-pyrazol-4-yl]ethanamine?
2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-pyrazol-4-yl]ethanamine has a molecular weight of 259.31 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-pyrazol-4-yl]ethanamine is sourced from PubChem (CID 82483994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).