N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine

C18H15N3O2 — CID 71625259

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
SMILESc1ccc2c(c1)Cc1c(Nc3ccc4c(c3)OCCO4)n[nH]c1-2
InChIInChI=1S/C18H15N3O2/c1-2-4-13-11(3-1)9-14-17(13)20-21-18(14)19-12-5-6-15-16(10-12)23-8-7-22-15/h1-6,10H,7-9H2,(H2,19,20,21)
InChIKeyCGZKSZVSWAAUHE-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.50
Rot. Bonds2

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine (PubChem CID 71625259) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
PubChem CID71625259
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
SMILESc1ccc2c(c1)Cc1c(Nc3ccc4c(c3)OCCO4)n[nH]c1-2
InChIInChI=1S/C18H15N3O2/c1-2-4-13-11(3-1)9-14-17(13)20-21-18(14)19-12-5-6-15-16(10-12)23-8-7-22-15/h1-6,10H,7-9H2,(H2,19,20,21)
InChIKeyCGZKSZVSWAAUHE-UHFFFAOYSA-N
XLogP3.50
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine (CID 71625259) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine is c1ccc2c(c1)Cc1c(Nc3ccc4c(c3)OCCO4)n[nH]c1-2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The InChIKey is CGZKSZVSWAAUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-2-4-13-11(3-1)9-14-17(13)20-21-18(14)19-12-5-6-15-16(10-12)23-8-7-22-15/h1-6,10H,7-9H2,(H2,19,20,21).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine has a molecular weight of 305.34 g/mol, XLogP of 3.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine is sourced from PubChem (CID 71625259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).