N-(3-bromophenyl)-5-(2-pyrrolidin-1-ylethoxy)-1,2-dihydroindeno[1,2-c]pyrazol-3-amine

C22H23BrN4O — CID 90839619

IUPACN-(3-bromophenyl)-5-(2-pyrrolidin-1-ylethoxy)-1,2-dihydroindeno[1,2-c]pyrazol-3-amine
SMILESBrc1cccc(Nc2[nH][nH]c3c4cccc(OCCN5CCCC5)c4cc2-3)c1
InChIInChI=1S/C22H23BrN4O/c23-15-5-3-6-16(13-15)24-22-19-14-18-17(21(19)25-26-22)7-4-8-20(18)28-12-11-27-9-1-2-10-27/h3-8,13-14,24-26H,1-2,9-12H2
InChIKeyIYKCFHNIMKTYPZ-UHFFFAOYSA-N
MW439.36 g/mol
LogP5.58
Rot. Bonds6

About N-(3-bromophenyl)-5-(2-pyrrolidin-1-ylethoxy)-1,2-dihydroindeno[1,2-c]pyrazol-3-amine

N-(3-bromophenyl)-5-(2-pyrrolidin-1-ylethoxy)-1,2-dihydroindeno[1,2-c]pyrazol-3-amine (PubChem CID 90839619) has the molecular formula C22H23BrN4O and a molecular weight of 439.36 g/mol. Its IUPAC name is N-(3-bromophenyl)-5-(2-pyrrolidin-1-ylethoxy)-1,2-dihydroindeno[1,2-c]pyrazol-3-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-5-(2-pyrrolidin-1-ylethoxy)-1,2-dihydroindeno[1,2-c]pyrazol-3-amine
PubChem CID90839619
Molecular FormulaC22H23BrN4O
Molecular Weight439.36 g/mol
Exact Mass438.11
IUPAC NameN-(3-bromophenyl)-5-(2-pyrrolidin-1-ylethoxy)-1,2-dihydroindeno[1,2-c]pyrazol-3-amine
SMILESBrc1cccc(Nc2[nH][nH]c3c4cccc(OCCN5CCCC5)c4cc2-3)c1
InChIInChI=1S/C22H23BrN4O/c23-15-5-3-6-16(13-15)24-22-19-14-18-17(21(19)25-26-22)7-4-8-20(18)28-12-11-27-9-1-2-10-27/h3-8,13-14,24-26H,1-2,9-12H2
InChIKeyIYKCFHNIMKTYPZ-UHFFFAOYSA-N
XLogP5.58
TPSA56.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.36
LogP ≤ 55.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-5-(2-pyrrolidin-1-ylethoxy)-1,2-dihydroindeno[1,2-c]pyrazol-3-amine?
The IUPAC name of N-(3-bromophenyl)-5-(2-pyrrolidin-1-ylethoxy)-1,2-dihydroindeno[1,2-c]pyrazol-3-amine (CID 90839619) is N-(3-bromophenyl)-5-(2-pyrrolidin-1-ylethoxy)-1,2-dihydroindeno[1,2-c]pyrazol-3-amine.
What is the SMILES notation for N-(3-bromophenyl)-5-(2-pyrrolidin-1-ylethoxy)-1,2-dihydroindeno[1,2-c]pyrazol-3-amine?
The canonical SMILES for N-(3-bromophenyl)-5-(2-pyrrolidin-1-ylethoxy)-1,2-dihydroindeno[1,2-c]pyrazol-3-amine is Brc1cccc(Nc2[nH][nH]c3c4cccc(OCCN5CCCC5)c4cc2-3)c1.
What is the InChIKey of N-(3-bromophenyl)-5-(2-pyrrolidin-1-ylethoxy)-1,2-dihydroindeno[1,2-c]pyrazol-3-amine?
The InChIKey is IYKCFHNIMKTYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BrN4O/c23-15-5-3-6-16(13-15)24-22-19-14-18-17(21(19)25-26-22)7-4-8-20(18)28-12-11-27-9-1-2-10-27/h3-8,13-14,24-26H,1-2,9-12H2.
What are the key properties of N-(3-bromophenyl)-5-(2-pyrrolidin-1-ylethoxy)-1,2-dihydroindeno[1,2-c]pyrazol-3-amine?
N-(3-bromophenyl)-5-(2-pyrrolidin-1-ylethoxy)-1,2-dihydroindeno[1,2-c]pyrazol-3-amine has a molecular weight of 439.36 g/mol, XLogP of 5.58, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-5-(2-pyrrolidin-1-ylethoxy)-1,2-dihydroindeno[1,2-c]pyrazol-3-amine is sourced from PubChem (CID 90839619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).