3-(5-bromothiophen-2-yl)-1-(4-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole

C16H14BrN3S — CID 4264877

IUPAC3-(5-bromothiophen-2-yl)-1-(4-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
SMILESCc1ccc(-n2nc(-c3ccc(Br)s3)c3c2NCC3)cc1
InChIInChI=1S/C16H14BrN3S/c1-10-2-4-11(5-3-10)20-16-12(8-9-18-16)15(19-20)13-6-7-14(17)21-13/h2-7,18H,8-9H2,1H3
InChIKeyLZMMPSJCXGGVKA-UHFFFAOYSA-N
MW360.28 g/mol
LogP4.64
Rot. Bonds2

About 3-(5-bromothiophen-2-yl)-1-(4-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole

3-(5-bromothiophen-2-yl)-1-(4-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole (PubChem CID 4264877) has the molecular formula C16H14BrN3S and a molecular weight of 360.28 g/mol. Its IUPAC name is 3-(5-bromothiophen-2-yl)-1-(4-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole.

Molecular Properties

Compound Name3-(5-bromothiophen-2-yl)-1-(4-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
PubChem CID4264877
Molecular FormulaC16H14BrN3S
Molecular Weight360.28 g/mol
Exact Mass359.01
IUPAC Name3-(5-bromothiophen-2-yl)-1-(4-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
SMILESCc1ccc(-n2nc(-c3ccc(Br)s3)c3c2NCC3)cc1
InChIInChI=1S/C16H14BrN3S/c1-10-2-4-11(5-3-10)20-16-12(8-9-18-16)15(19-20)13-6-7-14(17)21-13/h2-7,18H,8-9H2,1H3
InChIKeyLZMMPSJCXGGVKA-UHFFFAOYSA-N
XLogP4.64
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.28
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-chlorothiophen-2-yl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 3659542
3-(5-bromothiophen-2-yl)-1-(2-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3694070
3-(5-bromothiophen-2-yl)-1-(4-nitrophenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 4545150
1-(4-methylphenyl)-3-pyridin-3-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3952494
1-(4-methylphenyl)-3-naphthalen-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 4533947
1-(4-methylphenyl)-3-propyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 5134977
1-(4-methylphenyl)-3-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3931728
3-(5-bromothiophen-2-yl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 4559567
3-(4-bromophenyl)-1-(4-iodophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3995050
1-(2-fluorophenyl)-3-(5-methylthiophen-2-yl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 4998025
1-(4-methylphenyl)-3-(2-methylpropyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 4040454
3-(5-bromothiophen-2-yl)-1-(2,4-difluorophenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 4043851

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromothiophen-2-yl)-1-(4-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
The IUPAC name of 3-(5-bromothiophen-2-yl)-1-(4-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole (CID 4264877) is 3-(5-bromothiophen-2-yl)-1-(4-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole.
What is the SMILES notation for 3-(5-bromothiophen-2-yl)-1-(4-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
The canonical SMILES for 3-(5-bromothiophen-2-yl)-1-(4-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole is Cc1ccc(-n2nc(-c3ccc(Br)s3)c3c2NCC3)cc1.
What is the InChIKey of 3-(5-bromothiophen-2-yl)-1-(4-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
The InChIKey is LZMMPSJCXGGVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3S/c1-10-2-4-11(5-3-10)20-16-12(8-9-18-16)15(19-20)13-6-7-14(17)21-13/h2-7,18H,8-9H2,1H3.
What are the key properties of 3-(5-bromothiophen-2-yl)-1-(4-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
3-(5-bromothiophen-2-yl)-1-(4-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole has a molecular weight of 360.28 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromothiophen-2-yl)-1-(4-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole is sourced from PubChem (CID 4264877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).