1-(2-bromophenyl)-3-(5-bromo-3-pyridinyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole

C16H12Br2N4 — CID 3665272

IUPAC1-(2-bromophenyl)-3-(5-bromo-3-pyridinyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
SMILESBrc1cncc(-c2nn(-c3ccccc3Br)c3c2CCN3)c1
InChIInChI=1S/C16H12Br2N4/c17-11-7-10(8-19-9-11)15-12-5-6-20-16(12)22(21-15)14-4-2-1-3-13(14)18/h1-4,7-9,20H,5-6H2
InChIKeyFANDEERHNLKKQH-UHFFFAOYSA-N
MW420.11 g/mol
LogP4.43
Rot. Bonds2

About 1-(2-bromophenyl)-3-(5-bromo-3-pyridinyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole

1-(2-bromophenyl)-3-(5-bromo-3-pyridinyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole (PubChem CID 3665272) has the molecular formula C16H12Br2N4 and a molecular weight of 420.11 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-(5-bromo-3-pyridinyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-(5-bromo-3-pyridinyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
PubChem CID3665272
Molecular FormulaC16H12Br2N4
Molecular Weight420.11 g/mol
Exact Mass417.94
IUPAC Name1-(2-bromophenyl)-3-(5-bromo-3-pyridinyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
SMILESBrc1cncc(-c2nn(-c3ccccc3Br)c3c2CCN3)c1
InChIInChI=1S/C16H12Br2N4/c17-11-7-10(8-19-9-11)15-12-5-6-20-16(12)22(21-15)14-4-2-1-3-13(14)18/h1-4,7-9,20H,5-6H2
InChIKeyFANDEERHNLKKQH-UHFFFAOYSA-N
XLogP4.43
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.11
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-bromo-3-pyridinyl)-1-(4-iodophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3652322
3-(3-bromophenyl)-1-(2-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 4255056
1-(2-bromophenyl)-3-(2-methylsulfanylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3664992
3-(5-bromo-3-pyridinyl)-1-(5-chloro-2-methylphenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 3542513
3-(5-bromo-3-pyridinyl)-1-(3-chlorophenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 3600824
3-(5-bromo-3-pyridinyl)-1-(3,4-dimethylphenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 5145046
3-(3-bromophenyl)-1-(4-bromophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 4216565
1-(2-bromophenyl)-3-[2-chloro-5-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 4013665
3-(3-bromophenyl)-1-(2-chlorophenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 4671899
1-(2-bromophenyl)-3-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 3981334
3-(3-bromophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3310922
3-(5-bromo-3-pyridinyl)-1-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 3971718

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-(5-bromo-3-pyridinyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
The IUPAC name of 1-(2-bromophenyl)-3-(5-bromo-3-pyridinyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole (CID 3665272) is 1-(2-bromophenyl)-3-(5-bromo-3-pyridinyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole.
What is the SMILES notation for 1-(2-bromophenyl)-3-(5-bromo-3-pyridinyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
The canonical SMILES for 1-(2-bromophenyl)-3-(5-bromo-3-pyridinyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole is Brc1cncc(-c2nn(-c3ccccc3Br)c3c2CCN3)c1.
What is the InChIKey of 1-(2-bromophenyl)-3-(5-bromo-3-pyridinyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
The InChIKey is FANDEERHNLKKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Br2N4/c17-11-7-10(8-19-9-11)15-12-5-6-20-16(12)22(21-15)14-4-2-1-3-13(14)18/h1-4,7-9,20H,5-6H2.
What are the key properties of 1-(2-bromophenyl)-3-(5-bromo-3-pyridinyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
1-(2-bromophenyl)-3-(5-bromo-3-pyridinyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole has a molecular weight of 420.11 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-(5-bromo-3-pyridinyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole is sourced from PubChem (CID 3665272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).