2-[3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-5-yl]ethanamine

C14H17N3O2 — CID 82484043

IUPAC2-[3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-5-yl]ethanamine
SMILESCc1cc2c(cc1-c1cc(CCN)[nH]n1)OCCO2
InChIInChI=1S/C14H17N3O2/c1-9-6-13-14(19-5-4-18-13)8-11(9)12-7-10(2-3-15)16-17-12/h6-8H,2-5,15H2,1H3,(H,16,17)
InChIKeyHYRRCFAPRFONHP-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.66
Rot. Bonds3

About 2-[3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-5-yl]ethanamine

2-[3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-5-yl]ethanamine (PubChem CID 82484043) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-5-yl]ethanamine
PubChem CID82484043
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-[3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-5-yl]ethanamine
SMILESCc1cc2c(cc1-c1cc(CCN)[nH]n1)OCCO2
InChIInChI=1S/C14H17N3O2/c1-9-6-13-14(19-5-4-18-13)8-11(9)12-7-10(2-3-15)16-17-12/h6-8H,2-5,15H2,1H3,(H,16,17)
InChIKeyHYRRCFAPRFONHP-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-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazol-5-yl]ethanamine
CID 82479088
2-[3-(4-tert-butyl-2,6-dimethylphenyl)-1H-pyrazol-5-yl]ethanamine
CID 96668220
[4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-yl]methanamine
CID 82482950
2-[3-(5-chloro-2-methoxy-3-methylphenyl)-1H-pyrazol-5-yl]ethanamine
CID 82486872
2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-pyrazol-4-yl]ethanamine
CID 82483994
N-methyl-5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-3-amine
CID 116827257
[1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methanamine
CID 82493830
[2-methyl-6-(6-methyl-1,3-benzodioxol-5-yl)pyrimidin-4-yl]methanamine
CID 116857676
5-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazol-3-amine
CID 117341723
2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidin-2-yl]ethanamine
CID 95474302
[4-methyl-6-(6-methyl-1,3-benzodioxol-5-yl)pyrimidin-2-yl]methanamine
CID 116892370
2-methyl-4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-amine
CID 116924968

Frequently Asked Questions

What is the IUPAC name of 2-[3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-5-yl]ethanamine?
The IUPAC name of 2-[3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-5-yl]ethanamine (CID 82484043) is 2-[3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-5-yl]ethanamine.
What is the SMILES notation for 2-[3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-5-yl]ethanamine?
The canonical SMILES for 2-[3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-5-yl]ethanamine is Cc1cc2c(cc1-c1cc(CCN)[nH]n1)OCCO2.
What is the InChIKey of 2-[3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-5-yl]ethanamine?
The InChIKey is HYRRCFAPRFONHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9-6-13-14(19-5-4-18-13)8-11(9)12-7-10(2-3-15)16-17-12/h6-8H,2-5,15H2,1H3,(H,16,17).
What are the key properties of 2-[3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-5-yl]ethanamine?
2-[3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-5-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-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-5-yl]ethanamine is sourced from PubChem (CID 82484043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).