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

C17H12BrF2N3 — CID 4645371

IUPAC1-(4-bromophenyl)-3-(2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
SMILESFc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2CCN3)c(F)c1
InChIInChI=1S/C17H12BrF2N3/c18-10-1-4-12(5-2-10)23-17-14(7-8-21-17)16(22-23)13-6-3-11(19)9-15(13)20/h1-6,9,21H,7-8H2
InChIKeyYGGGAVJKLSPJOW-UHFFFAOYSA-N
MW376.20 g/mol
LogP4.55
Rot. Bonds2

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

1-(4-bromophenyl)-3-(2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole (PubChem CID 4645371) has the molecular formula C17H12BrF2N3 and a molecular weight of 376.20 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
PubChem CID4645371
Molecular FormulaC17H12BrF2N3
Molecular Weight376.20 g/mol
Exact Mass375.02
IUPAC Name1-(4-bromophenyl)-3-(2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
SMILESFc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2CCN3)c(F)c1
InChIInChI=1S/C17H12BrF2N3/c18-10-1-4-12(5-2-10)23-17-14(7-8-21-17)16(22-23)13-6-3-11(19)9-15(13)20/h1-6,9,21H,7-8H2
InChIKeyYGGGAVJKLSPJOW-UHFFFAOYSA-N
XLogP4.55
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.20
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromophenyl)-3-(2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
The IUPAC name of 1-(4-bromophenyl)-3-(2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole (CID 4645371) is 1-(4-bromophenyl)-3-(2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole.
What is the SMILES notation for 1-(4-bromophenyl)-3-(2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
The canonical SMILES for 1-(4-bromophenyl)-3-(2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole is Fc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2CCN3)c(F)c1.
What is the InChIKey of 1-(4-bromophenyl)-3-(2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
The InChIKey is YGGGAVJKLSPJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrF2N3/c18-10-1-4-12(5-2-10)23-17-14(7-8-21-17)16(22-23)13-6-3-11(19)9-15(13)20/h1-6,9,21H,7-8H2.
What are the key properties of 1-(4-bromophenyl)-3-(2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
1-(4-bromophenyl)-3-(2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole has a molecular weight of 376.20 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole is sourced from PubChem (CID 4645371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).