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

C18H15Cl2N3O2 — CID 90889419

IUPACN-(2,4-dichlorophenyl)-6,7-dimethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-amine
SMILESCOc1cc2cc3c(Nc4ccc(Cl)cc4Cl)[nH][nH]c-3c2cc1OC
InChIInChI=1S/C18H15Cl2N3O2/c1-24-15-6-9-5-12-17(11(9)8-16(15)25-2)22-23-18(12)21-14-4-3-10(19)7-13(14)20/h3-8,21-23H,1-2H3
InChIKeyZLCBIXFOEAHDFU-UHFFFAOYSA-N
MW376.24 g/mol
LogP5.67
Rot. Bonds4

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

N-(2,4-dichlorophenyl)-6,7-dimethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-amine (PubChem CID 90889419) has the molecular formula C18H15Cl2N3O2 and a molecular weight of 376.24 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-6,7-dimethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-amine.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-6,7-dimethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-amine
PubChem CID90889419
Molecular FormulaC18H15Cl2N3O2
Molecular Weight376.24 g/mol
Exact Mass375.05
IUPAC NameN-(2,4-dichlorophenyl)-6,7-dimethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-amine
SMILESCOc1cc2cc3c(Nc4ccc(Cl)cc4Cl)[nH][nH]c-3c2cc1OC
InChIInChI=1S/C18H15Cl2N3O2/c1-24-15-6-9-5-12-17(11(9)8-16(15)25-2)22-23-18(12)21-14-4-3-10(19)7-13(14)20/h3-8,21-23H,1-2H3
InChIKeyZLCBIXFOEAHDFU-UHFFFAOYSA-N
XLogP5.67
TPSA62.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.24
LogP ≤ 55.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-6,7-dimethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-amine?
The IUPAC name of N-(2,4-dichlorophenyl)-6,7-dimethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-amine (CID 90889419) is N-(2,4-dichlorophenyl)-6,7-dimethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-amine.
What is the SMILES notation for N-(2,4-dichlorophenyl)-6,7-dimethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-amine?
The canonical SMILES for N-(2,4-dichlorophenyl)-6,7-dimethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-amine is COc1cc2cc3c(Nc4ccc(Cl)cc4Cl)[nH][nH]c-3c2cc1OC.
What is the InChIKey of N-(2,4-dichlorophenyl)-6,7-dimethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-amine?
The InChIKey is ZLCBIXFOEAHDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O2/c1-24-15-6-9-5-12-17(11(9)8-16(15)25-2)22-23-18(12)21-14-4-3-10(19)7-13(14)20/h3-8,21-23H,1-2H3.
What are the key properties of N-(2,4-dichlorophenyl)-6,7-dimethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-amine?
N-(2,4-dichlorophenyl)-6,7-dimethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-amine has a molecular weight of 376.24 g/mol, XLogP of 5.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-6,7-dimethoxy-1,2-dihydroindeno[1,2-c]pyrazol-3-amine is sourced from PubChem (CID 90889419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).