2-(4-bromophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine

C12H12BrN3 — CID 65348552

IUPAC2-(4-bromophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine
SMILESNc1c2c(nn1-c1ccc(Br)cc1)CCC2
InChIInChI=1S/C12H12BrN3/c13-8-4-6-9(7-5-8)16-12(14)10-2-1-3-11(10)15-16/h4-7H,1-3,14H2
InChIKeyQTWMDCDBRMDRLV-UHFFFAOYSA-N
MW278.15 g/mol
LogP2.71
Rot. Bonds1

About 2-(4-bromophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine

2-(4-bromophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine (PubChem CID 65348552) has the molecular formula C12H12BrN3 and a molecular weight of 278.15 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine
PubChem CID65348552
Molecular FormulaC12H12BrN3
Molecular Weight278.15 g/mol
Exact Mass277.02
IUPAC Name2-(4-bromophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine
SMILESNc1c2c(nn1-c1ccc(Br)cc1)CCC2
InChIInChI=1S/C12H12BrN3/c13-8-4-6-9(7-5-8)16-12(14)10-2-1-3-11(10)15-16/h4-7H,1-3,14H2
InChIKeyQTWMDCDBRMDRLV-UHFFFAOYSA-N
XLogP2.71
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine?
The IUPAC name of 2-(4-bromophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine (CID 65348552) is 2-(4-bromophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine.
What is the SMILES notation for 2-(4-bromophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine?
The canonical SMILES for 2-(4-bromophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine is Nc1c2c(nn1-c1ccc(Br)cc1)CCC2.
What is the InChIKey of 2-(4-bromophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine?
The InChIKey is QTWMDCDBRMDRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3/c13-8-4-6-9(7-5-8)16-12(14)10-2-1-3-11(10)15-16/h4-7H,1-3,14H2.
What are the key properties of 2-(4-bromophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine?
2-(4-bromophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine has a molecular weight of 278.15 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine is sourced from PubChem (CID 65348552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).