N-(3,4-dimethoxyphenyl)-6-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine

C19H19N3O3 — CID 18445547

IUPACN-(3,4-dimethoxyphenyl)-6-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
SMILESCOc1ccc2c(c1)Cc1c(Nc3ccc(OC)c(OC)c3)n[nH]c1-2
InChIInChI=1S/C19H19N3O3/c1-23-13-5-6-14-11(8-13)9-15-18(14)21-22-19(15)20-12-4-7-16(24-2)17(10-12)25-3/h4-8,10H,9H2,1-3H3,(H2,20,21,22)
InChIKeyLXOOZAROYURUJU-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.75
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-6-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine

N-(3,4-dimethoxyphenyl)-6-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine (PubChem CID 18445547) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-6-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-6-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
PubChem CID18445547
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-(3,4-dimethoxyphenyl)-6-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
SMILESCOc1ccc2c(c1)Cc1c(Nc3ccc(OC)c(OC)c3)n[nH]c1-2
InChIInChI=1S/C19H19N3O3/c1-23-13-5-6-14-11(8-13)9-15-18(14)21-22-19(15)20-12-4-7-16(24-2)17(10-12)25-3/h4-8,10H,9H2,1-3H3,(H2,20,21,22)
InChIKeyLXOOZAROYURUJU-UHFFFAOYSA-N
XLogP3.75
TPSA68.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-6-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The IUPAC name of N-(3,4-dimethoxyphenyl)-6-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine (CID 18445547) is N-(3,4-dimethoxyphenyl)-6-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-6-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-6-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine is COc1ccc2c(c1)Cc1c(Nc3ccc(OC)c(OC)c3)n[nH]c1-2.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-6-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The InChIKey is LXOOZAROYURUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-23-13-5-6-14-11(8-13)9-15-18(14)21-22-19(15)20-12-4-7-16(24-2)17(10-12)25-3/h4-8,10H,9H2,1-3H3,(H2,20,21,22).
What are the key properties of N-(3,4-dimethoxyphenyl)-6-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
N-(3,4-dimethoxyphenyl)-6-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine has a molecular weight of 337.38 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-6-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine is sourced from PubChem (CID 18445547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).