6-ethoxy-N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine

C18H17N3O — CID 122178336

IUPAC6-ethoxy-N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
SMILESCCOc1ccc2c(c1)Cc1c(Nc3ccccc3)n[nH]c1-2
InChIInChI=1S/C18H17N3O/c1-2-22-14-8-9-15-12(10-14)11-16-17(15)20-21-18(16)19-13-6-4-3-5-7-13/h3-10H,2,11H2,1H3,(H2,19,20,21)
InChIKeyVEISJGFOSMXIJY-UHFFFAOYSA-N
MW291.35 g/mol
LogP4.12
Rot. Bonds4

About 6-ethoxy-N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine

6-ethoxy-N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine (PubChem CID 122178336) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 6-ethoxy-N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine.

Molecular Properties

Compound Name6-ethoxy-N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
PubChem CID122178336
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name6-ethoxy-N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
SMILESCCOc1ccc2c(c1)Cc1c(Nc3ccccc3)n[nH]c1-2
InChIInChI=1S/C18H17N3O/c1-2-22-14-8-9-15-12(10-14)11-16-17(15)20-21-18(16)19-13-6-4-3-5-7-13/h3-10H,2,11H2,1H3,(H2,19,20,21)
InChIKeyVEISJGFOSMXIJY-UHFFFAOYSA-N
XLogP4.12
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The IUPAC name of 6-ethoxy-N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine (CID 122178336) is 6-ethoxy-N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine.
What is the SMILES notation for 6-ethoxy-N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The canonical SMILES for 6-ethoxy-N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine is CCOc1ccc2c(c1)Cc1c(Nc3ccccc3)n[nH]c1-2.
What is the InChIKey of 6-ethoxy-N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The InChIKey is VEISJGFOSMXIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-2-22-14-8-9-15-12(10-14)11-16-17(15)20-21-18(16)19-13-6-4-3-5-7-13/h3-10H,2,11H2,1H3,(H2,19,20,21).
What are the key properties of 6-ethoxy-N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
6-ethoxy-N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine has a molecular weight of 291.35 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine is sourced from PubChem (CID 122178336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).