4-(6-bromo-2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazol-5-amine

C11H10BrN3O2 — CID 117476939

IUPAC4-(6-bromo-2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1c(Br)ccc2c1OCCO2
InChIInChI=1S/C11H10BrN3O2/c12-7-1-2-8-10(17-4-3-16-8)9(7)6-5-14-15-11(6)13/h1-2,5H,3-4H2,(H3,13,14,15)
InChIKeyTUAKRBHEXDMHIE-UHFFFAOYSA-N
MW296.12 g/mol
LogP2.19
Rot. Bonds1

About 4-(6-bromo-2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazol-5-amine

4-(6-bromo-2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazol-5-amine (PubChem CID 117476939) has the molecular formula C11H10BrN3O2 and a molecular weight of 296.12 g/mol. Its IUPAC name is 4-(6-bromo-2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(6-bromo-2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazol-5-amine
PubChem CID117476939
Molecular FormulaC11H10BrN3O2
Molecular Weight296.12 g/mol
Exact Mass295.00
IUPAC Name4-(6-bromo-2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1c(Br)ccc2c1OCCO2
InChIInChI=1S/C11H10BrN3O2/c12-7-1-2-8-10(17-4-3-16-8)9(7)6-5-14-15-11(6)13/h1-2,5H,3-4H2,(H3,13,14,15)
InChIKeyTUAKRBHEXDMHIE-UHFFFAOYSA-N
XLogP2.19
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.12
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(6-bromo-2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazol-5-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-(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-1H-pyrazol-5-amine
CID 117375445
4-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazol-5-amine
CID 117416678
4-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazol-5-amine
CID 117341693
4-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazol-5-amine
CID 117382466
5-(5-amino-1H-pyrazol-4-yl)-1,3-benzodioxol-4-ol
CID 117311798
4-(2-bromo-6-fluorophenyl)-1H-pyrazol-5-amine
CID 117393162
4-(4-methoxy-1,3-benzodioxol-5-yl)-1H-pyrazol-5-amine
CID 117337608
4-(5-chloro-6-propan-2-yl-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazol-5-amine
CID 117473927
4-(6-bromo-3-fluoro-2-methoxyphenyl)-1H-pyrazol-5-amine
CID 117460558
4-(6-chloro-7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1H-pyrazol-5-amine
CID 117455930
4-(4-methylsulfonyl-1,3-benzodioxol-5-yl)-1H-pyrazol-5-amine
CID 117451305
3,6,9,12-tetraoxatricyclo[6.4.2.02,7]tetradeca-1,7,13-triene
CID 54006719

Frequently Asked Questions

What is the IUPAC name of 4-(6-bromo-2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(6-bromo-2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazol-5-amine (CID 117476939) is 4-(6-bromo-2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(6-bromo-2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(6-bromo-2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazol-5-amine is Nc1[nH]ncc1-c1c(Br)ccc2c1OCCO2.
What is the InChIKey of 4-(6-bromo-2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazol-5-amine?
The InChIKey is TUAKRBHEXDMHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O2/c12-7-1-2-8-10(17-4-3-16-8)9(7)6-5-14-15-11(6)13/h1-2,5H,3-4H2,(H3,13,14,15).
What are the key properties of 4-(6-bromo-2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazol-5-amine?
4-(6-bromo-2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazol-5-amine has a molecular weight of 296.12 g/mol, XLogP of 2.19, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromo-2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazol-5-amine is sourced from PubChem (CID 117476939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).