N-(2,2-difluoro-1,3-benzodioxol-4-yl)-6,7-dimethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-amine

C19H15F2N3O4 — CID 91489640

IUPACN-(2,2-difluoro-1,3-benzodioxol-4-yl)-6,7-dimethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-amine
SMILESCOc1cc2cc3c(Nc4cccc5c4OC(F)(F)O5)[nH][nH]c-3c2cc1OC
InChIInChI=1S/C19H15F2N3O4/c1-25-14-7-9-6-11-16(10(9)8-15(14)26-2)23-24-18(11)22-12-4-3-5-13-17(12)28-19(20,21)27-13/h3-8,22-24H,1-2H3
InChIKeyZMKHDBFYWUXZSU-UHFFFAOYSA-N
MW387.34 g/mol
LogP4.68
Rot. Bonds4

About N-(2,2-difluoro-1,3-benzodioxol-4-yl)-6,7-dimethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-amine

N-(2,2-difluoro-1,3-benzodioxol-4-yl)-6,7-dimethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-amine (PubChem CID 91489640) has the molecular formula C19H15F2N3O4 and a molecular weight of 387.34 g/mol. Its IUPAC name is N-(2,2-difluoro-1,3-benzodioxol-4-yl)-6,7-dimethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-amine.

Molecular Properties

Compound NameN-(2,2-difluoro-1,3-benzodioxol-4-yl)-6,7-dimethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-amine
PubChem CID91489640
Molecular FormulaC19H15F2N3O4
Molecular Weight387.34 g/mol
Exact Mass387.10
IUPAC NameN-(2,2-difluoro-1,3-benzodioxol-4-yl)-6,7-dimethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-amine
SMILESCOc1cc2cc3c(Nc4cccc5c4OC(F)(F)O5)[nH][nH]c-3c2cc1OC
InChIInChI=1S/C19H15F2N3O4/c1-25-14-7-9-6-11-16(10(9)8-15(14)26-2)23-24-18(11)22-12-4-3-5-13-17(12)28-19(20,21)27-13/h3-8,22-24H,1-2H3
InChIKeyZMKHDBFYWUXZSU-UHFFFAOYSA-N
XLogP4.68
TPSA80.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.34
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-4-yl)-6,7-dimethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-amine?
The IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-4-yl)-6,7-dimethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-amine (CID 91489640) is N-(2,2-difluoro-1,3-benzodioxol-4-yl)-6,7-dimethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-amine.
What is the SMILES notation for N-(2,2-difluoro-1,3-benzodioxol-4-yl)-6,7-dimethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-amine?
The canonical SMILES for N-(2,2-difluoro-1,3-benzodioxol-4-yl)-6,7-dimethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-amine is COc1cc2cc3c(Nc4cccc5c4OC(F)(F)O5)[nH][nH]c-3c2cc1OC.
What is the InChIKey of N-(2,2-difluoro-1,3-benzodioxol-4-yl)-6,7-dimethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-amine?
The InChIKey is ZMKHDBFYWUXZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O4/c1-25-14-7-9-6-11-16(10(9)8-15(14)26-2)23-24-18(11)22-12-4-3-5-13-17(12)28-19(20,21)27-13/h3-8,22-24H,1-2H3.
What are the key properties of N-(2,2-difluoro-1,3-benzodioxol-4-yl)-6,7-dimethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-amine?
N-(2,2-difluoro-1,3-benzodioxol-4-yl)-6,7-dimethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-amine has a molecular weight of 387.34 g/mol, XLogP of 4.68, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-1,3-benzodioxol-4-yl)-6,7-dimethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-amine is sourced from PubChem (CID 91489640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).