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

C18H16BrN3O2 — CID 18445506

IUPACN-(2-bromophenyl)-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
SMILESCOc1cc2c(cc1OC)-c1[nH]nc(Nc3ccccc3Br)c1C2
InChIInChI=1S/C18H16BrN3O2/c1-23-15-8-10-7-12-17(11(10)9-16(15)24-2)21-22-18(12)20-14-6-4-3-5-13(14)19/h3-6,8-9H,7H2,1-2H3,(H2,20,21,22)
InChIKeyZYNSVTRZZFAQPD-UHFFFAOYSA-N
MW386.25 g/mol
LogP4.50
Rot. Bonds4

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

N-(2-bromophenyl)-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine (PubChem CID 18445506) has the molecular formula C18H16BrN3O2 and a molecular weight of 386.25 g/mol. Its IUPAC name is N-(2-bromophenyl)-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine.

Molecular Properties

Compound NameN-(2-bromophenyl)-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
PubChem CID18445506
Molecular FormulaC18H16BrN3O2
Molecular Weight386.25 g/mol
Exact Mass385.04
IUPAC NameN-(2-bromophenyl)-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
SMILESCOc1cc2c(cc1OC)-c1[nH]nc(Nc3ccccc3Br)c1C2
InChIInChI=1S/C18H16BrN3O2/c1-23-15-8-10-7-12-17(11(10)9-16(15)24-2)21-22-18(12)20-14-6-4-3-5-13(14)19/h3-6,8-9H,7H2,1-2H3,(H2,20,21,22)
InChIKeyZYNSVTRZZFAQPD-UHFFFAOYSA-N
XLogP4.50
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The IUPAC name of N-(2-bromophenyl)-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine (CID 18445506) is N-(2-bromophenyl)-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine.
What is the SMILES notation for N-(2-bromophenyl)-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The canonical SMILES for N-(2-bromophenyl)-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine is COc1cc2c(cc1OC)-c1[nH]nc(Nc3ccccc3Br)c1C2.
What is the InChIKey of N-(2-bromophenyl)-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The InChIKey is ZYNSVTRZZFAQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O2/c1-23-15-8-10-7-12-17(11(10)9-16(15)24-2)21-22-18(12)20-14-6-4-3-5-13(14)19/h3-6,8-9H,7H2,1-2H3,(H2,20,21,22).
What are the key properties of N-(2-bromophenyl)-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
N-(2-bromophenyl)-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine has a molecular weight of 386.25 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine is sourced from PubChem (CID 18445506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).