3,4-dibromo-2-phenyl-4H-pyrazolo[1,5-a]indole

C16H10Br2N2 — CID 10249779

IUPAC3,4-dibromo-2-phenyl-4H-pyrazolo[1,5-a]indole
SMILESBrc1c(-c2ccccc2)nn2c1C(Br)c1ccccc1-2
InChIInChI=1S/C16H10Br2N2/c17-13-11-8-4-5-9-12(11)20-16(13)14(18)15(19-20)10-6-2-1-3-7-10/h1-9,13H
InChIKeyJFXKOFOTPCPWME-UHFFFAOYSA-N
MW390.08 g/mol
LogP5.10
Rot. Bonds1

About 3,4-dibromo-2-phenyl-4H-pyrazolo[1,5-a]indole

3,4-dibromo-2-phenyl-4H-pyrazolo[1,5-a]indole (PubChem CID 10249779) has the molecular formula C16H10Br2N2 and a molecular weight of 390.08 g/mol. Its IUPAC name is 3,4-dibromo-2-phenyl-4H-pyrazolo[1,5-a]indole.

Molecular Properties

Compound Name3,4-dibromo-2-phenyl-4H-pyrazolo[1,5-a]indole
PubChem CID10249779
Molecular FormulaC16H10Br2N2
Molecular Weight390.08 g/mol
Exact Mass387.92
IUPAC Name3,4-dibromo-2-phenyl-4H-pyrazolo[1,5-a]indole
SMILESBrc1c(-c2ccccc2)nn2c1C(Br)c1ccccc1-2
InChIInChI=1S/C16H10Br2N2/c17-13-11-8-4-5-9-12(11)20-16(13)14(18)15(19-20)10-6-2-1-3-7-10/h1-9,13H
InChIKeyJFXKOFOTPCPWME-UHFFFAOYSA-N
XLogP5.10
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.08
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-5-phenyl-2-(4-phenylphenyl)pyrazolo[1,5-a]pyridine
CID 142726284
4,5-diphenyltriazol-2-amine
CID 14173575
4-bromo-1-(2-methylcyclopentyl)-3,5-diphenylpyrazole
CID 10249255
1,5-dimethyl-3,4-diphenylpyrazole
CID 13146064
1-(2-bromophenyl)-5-phenyl-1,2,4-triazole-3-carboxylic acid
CID 29060309
2-(2-chlorophenyl)-4-phenylphthalazin-1-one
CID 69161098
3-bromo-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 83904556
5-methyl-1,3-diphenyl-4,5-dihydrobenzo[g]indazole
CID 12713181
5-methyl-1,3-diphenyl-4,5-dihydrobenzo[e]indazole
CID 12713194
5-methyl-1,3,4-triphenylpyrazole
CID 1202580
4,5-dimethyl-1,3-diphenylpyrazole
CID 13258584
(1R,8S)-1,3,5-triphenyl-4,5-diazatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaene
CID 11796602

Frequently Asked Questions

What is the IUPAC name of 3,4-dibromo-2-phenyl-4H-pyrazolo[1,5-a]indole?
The IUPAC name of 3,4-dibromo-2-phenyl-4H-pyrazolo[1,5-a]indole (CID 10249779) is 3,4-dibromo-2-phenyl-4H-pyrazolo[1,5-a]indole.
What is the SMILES notation for 3,4-dibromo-2-phenyl-4H-pyrazolo[1,5-a]indole?
The canonical SMILES for 3,4-dibromo-2-phenyl-4H-pyrazolo[1,5-a]indole is Brc1c(-c2ccccc2)nn2c1C(Br)c1ccccc1-2.
What is the InChIKey of 3,4-dibromo-2-phenyl-4H-pyrazolo[1,5-a]indole?
The InChIKey is JFXKOFOTPCPWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Br2N2/c17-13-11-8-4-5-9-12(11)20-16(13)14(18)15(19-20)10-6-2-1-3-7-10/h1-9,13H.
What are the key properties of 3,4-dibromo-2-phenyl-4H-pyrazolo[1,5-a]indole?
3,4-dibromo-2-phenyl-4H-pyrazolo[1,5-a]indole has a molecular weight of 390.08 g/mol, XLogP of 5.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibromo-2-phenyl-4H-pyrazolo[1,5-a]indole is sourced from PubChem (CID 10249779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).