2-(2,4-dibromophenyl)-3,4-dihydropyrazol-5-amine

C9H9Br2N3 — CID 23460165

IUPAC2-(2,4-dibromophenyl)-3,4-dihydropyrazol-5-amine
SMILESNC1=NN(c2ccc(Br)cc2Br)CC1
InChIInChI=1S/C9H9Br2N3/c10-6-1-2-8(7(11)5-6)14-4-3-9(12)13-14/h1-2,5H,3-4H2,(H2,12,13)
InChIKeyXJWBSBRGRFLFIX-UHFFFAOYSA-N
MW319.00 g/mol
LogP2.69
Rot. Bonds1

About 2-(2,4-dibromophenyl)-3,4-dihydropyrazol-5-amine

2-(2,4-dibromophenyl)-3,4-dihydropyrazol-5-amine (PubChem CID 23460165) has the molecular formula C9H9Br2N3 and a molecular weight of 319.00 g/mol. Its IUPAC name is 2-(2,4-dibromophenyl)-3,4-dihydropyrazol-5-amine.

Molecular Properties

Compound Name2-(2,4-dibromophenyl)-3,4-dihydropyrazol-5-amine
PubChem CID23460165
Molecular FormulaC9H9Br2N3
Molecular Weight319.00 g/mol
Exact Mass316.92
IUPAC Name2-(2,4-dibromophenyl)-3,4-dihydropyrazol-5-amine
SMILESNC1=NN(c2ccc(Br)cc2Br)CC1
InChIInChI=1S/C9H9Br2N3/c10-6-1-2-8(7(11)5-6)14-4-3-9(12)13-14/h1-2,5H,3-4H2,(H2,12,13)
InChIKeyXJWBSBRGRFLFIX-UHFFFAOYSA-N
XLogP2.69
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.00
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromophenyl)-3,4-dihydropyrazol-5-amine?
The IUPAC name of 2-(2,4-dibromophenyl)-3,4-dihydropyrazol-5-amine (CID 23460165) is 2-(2,4-dibromophenyl)-3,4-dihydropyrazol-5-amine.
What is the SMILES notation for 2-(2,4-dibromophenyl)-3,4-dihydropyrazol-5-amine?
The canonical SMILES for 2-(2,4-dibromophenyl)-3,4-dihydropyrazol-5-amine is NC1=NN(c2ccc(Br)cc2Br)CC1.
What is the InChIKey of 2-(2,4-dibromophenyl)-3,4-dihydropyrazol-5-amine?
The InChIKey is XJWBSBRGRFLFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Br2N3/c10-6-1-2-8(7(11)5-6)14-4-3-9(12)13-14/h1-2,5H,3-4H2,(H2,12,13).
What are the key properties of 2-(2,4-dibromophenyl)-3,4-dihydropyrazol-5-amine?
2-(2,4-dibromophenyl)-3,4-dihydropyrazol-5-amine has a molecular weight of 319.00 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromophenyl)-3,4-dihydropyrazol-5-amine is sourced from PubChem (CID 23460165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).