6,7-dimethoxy-N-(3-methylphenyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine

C19H19N3O2 — CID 10041745

IUPAC6,7-dimethoxy-N-(3-methylphenyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
SMILESCOc1cc2c(cc1OC)-c1[nH]nc(Nc3cccc(C)c3)c1C2
InChIInChI=1S/C19H19N3O2/c1-11-5-4-6-13(7-11)20-19-15-8-12-9-16(23-2)17(24-3)10-14(12)18(15)21-22-19/h4-7,9-10H,8H2,1-3H3,(H2,20,21,22)
InChIKeyWDJRVICSQLWOGN-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.05
Rot. Bonds4

About 6,7-dimethoxy-N-(3-methylphenyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine

6,7-dimethoxy-N-(3-methylphenyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine (PubChem CID 10041745) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 6,7-dimethoxy-N-(3-methylphenyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine.

Molecular Properties

Compound Name6,7-dimethoxy-N-(3-methylphenyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
PubChem CID10041745
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name6,7-dimethoxy-N-(3-methylphenyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
SMILESCOc1cc2c(cc1OC)-c1[nH]nc(Nc3cccc(C)c3)c1C2
InChIInChI=1S/C19H19N3O2/c1-11-5-4-6-13(7-11)20-19-15-8-12-9-16(23-2)17(24-3)10-14(12)18(15)21-22-19/h4-7,9-10H,8H2,1-3H3,(H2,20,21,22)
InChIKeyWDJRVICSQLWOGN-UHFFFAOYSA-N
XLogP4.05
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-N-(3-methylphenyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The IUPAC name of 6,7-dimethoxy-N-(3-methylphenyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine (CID 10041745) is 6,7-dimethoxy-N-(3-methylphenyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine.
What is the SMILES notation for 6,7-dimethoxy-N-(3-methylphenyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The canonical SMILES for 6,7-dimethoxy-N-(3-methylphenyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine is COc1cc2c(cc1OC)-c1[nH]nc(Nc3cccc(C)c3)c1C2.
What is the InChIKey of 6,7-dimethoxy-N-(3-methylphenyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The InChIKey is WDJRVICSQLWOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-11-5-4-6-13(7-11)20-19-15-8-12-9-16(23-2)17(24-3)10-14(12)18(15)21-22-19/h4-7,9-10H,8H2,1-3H3,(H2,20,21,22).
What are the key properties of 6,7-dimethoxy-N-(3-methylphenyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
6,7-dimethoxy-N-(3-methylphenyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine has a molecular weight of 321.38 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-N-(3-methylphenyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine is sourced from PubChem (CID 10041745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).