1-(4-bromo-3-iodophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine

C12H11BrIN3 — CID 114261535

IUPAC1-(4-bromo-3-iodophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine
SMILESNc1nn(-c2ccc(Br)c(I)c2)c2c1CCC2
InChIInChI=1S/C12H11BrIN3/c13-9-5-4-7(6-10(9)14)17-11-3-1-2-8(11)12(15)16-17/h4-6H,1-3H2,(H2,15,16)
InChIKeyRNCUKNKLLBHXSZ-UHFFFAOYSA-N
MW404.05 g/mol
LogP3.31
Rot. Bonds1

About 1-(4-bromo-3-iodophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine

1-(4-bromo-3-iodophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine (PubChem CID 114261535) has the molecular formula C12H11BrIN3 and a molecular weight of 404.05 g/mol. Its IUPAC name is 1-(4-bromo-3-iodophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine.

Molecular Properties

Compound Name1-(4-bromo-3-iodophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine
PubChem CID114261535
Molecular FormulaC12H11BrIN3
Molecular Weight404.05 g/mol
Exact Mass402.92
IUPAC Name1-(4-bromo-3-iodophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine
SMILESNc1nn(-c2ccc(Br)c(I)c2)c2c1CCC2
InChIInChI=1S/C12H11BrIN3/c13-9-5-4-7(6-10(9)14)17-11-3-1-2-8(11)12(15)16-17/h4-6H,1-3H2,(H2,15,16)
InChIKeyRNCUKNKLLBHXSZ-UHFFFAOYSA-N
XLogP3.31
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.05
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-naphthalen-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine
CID 102942368
1-(5-bromo-2-iodophenyl)-4,5,6,7-tetrahydroindazol-3-amine
CID 114261534
1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine;hydrochloride
CID 122156936
1-naphthalen-2-yl-4,5,6,7-tetrahydroindazol-3-amine
CID 102942370
1-(1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydroindazol-3-amine
CID 102942361
1-(4-methyl-3-nitrophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine
CID 102942644
1-(1-benzothiophen-5-yl)-4,5,6,7-tetrahydroindazol-3-amine
CID 102942902
1-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-3-amine
CID 102942537
1-(3-methyl-4-nitrophenyl)-4,5,6,7-tetrahydroindazol-3-amine
CID 102942792
1-(2-chloro-4-iodophenyl)-4,5,6,7-tetrahydroindazol-3-amine
CID 107608587
1-(2-bromo-3-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine
CID 102943027
1-(3-bromo-4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
CID 63333802

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-iodophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine?
The IUPAC name of 1-(4-bromo-3-iodophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine (CID 114261535) is 1-(4-bromo-3-iodophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine.
What is the SMILES notation for 1-(4-bromo-3-iodophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine?
The canonical SMILES for 1-(4-bromo-3-iodophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine is Nc1nn(-c2ccc(Br)c(I)c2)c2c1CCC2.
What is the InChIKey of 1-(4-bromo-3-iodophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine?
The InChIKey is RNCUKNKLLBHXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrIN3/c13-9-5-4-7(6-10(9)14)17-11-3-1-2-8(11)12(15)16-17/h4-6H,1-3H2,(H2,15,16).
What are the key properties of 1-(4-bromo-3-iodophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine?
1-(4-bromo-3-iodophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine has a molecular weight of 404.05 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-iodophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine is sourced from PubChem (CID 114261535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).