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

C18H17N3O2 — CID 11525980

IUPAC6,7-dimethoxy-N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
SMILESCOc1cc2c(cc1OC)-c1[nH]nc(Nc3ccccc3)c1C2
InChIInChI=1S/C18H17N3O2/c1-22-15-9-11-8-14-17(13(11)10-16(15)23-2)20-21-18(14)19-12-6-4-3-5-7-12/h3-7,9-10H,8H2,1-2H3,(H2,19,20,21)
InChIKeyRWKBPANRHRUTJW-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.74
Rot. Bonds4

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

6,7-dimethoxy-N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine (PubChem CID 11525980) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 6,7-dimethoxy-N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine.

Molecular Properties

Compound Name6,7-dimethoxy-N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
PubChem CID11525980
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name6,7-dimethoxy-N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
SMILESCOc1cc2c(cc1OC)-c1[nH]nc(Nc3ccccc3)c1C2
InChIInChI=1S/C18H17N3O2/c1-22-15-9-11-8-14-17(13(11)10-16(15)23-2)20-21-18(14)19-12-6-4-3-5-7-12/h3-7,9-10H,8H2,1-2H3,(H2,19,20,21)
InChIKeyRWKBPANRHRUTJW-UHFFFAOYSA-N
XLogP3.74
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.74
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-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The IUPAC name of 6,7-dimethoxy-N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine (CID 11525980) is 6,7-dimethoxy-N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine.
What is the SMILES notation for 6,7-dimethoxy-N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The canonical SMILES for 6,7-dimethoxy-N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine is COc1cc2c(cc1OC)-c1[nH]nc(Nc3ccccc3)c1C2.
What is the InChIKey of 6,7-dimethoxy-N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The InChIKey is RWKBPANRHRUTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-22-15-9-11-8-14-17(13(11)10-16(15)23-2)20-21-18(14)19-12-6-4-3-5-7-12/h3-7,9-10H,8H2,1-2H3,(H2,19,20,21).
What are the key properties of 6,7-dimethoxy-N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
6,7-dimethoxy-N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine has a molecular weight of 307.35 g/mol, XLogP of 3.74, 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-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine is sourced from PubChem (CID 11525980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).