3-(4-bromophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole

C12H11BrN2 — CID 169337120

IUPAC3-(4-bromophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole
SMILESBrc1ccc(-c2n[nH]c3c2CCC3)cc1
InChIInChI=1S/C12H11BrN2/c13-9-6-4-8(5-7-9)12-10-2-1-3-11(10)14-15-12/h4-7H,1-3H2,(H,14,15)
InChIKeyDLEWQFOPMVTGPW-UHFFFAOYSA-N
MW263.14 g/mol
LogP3.33
Rot. Bonds1

About 3-(4-bromophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole

3-(4-bromophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole (PubChem CID 169337120) has the molecular formula C12H11BrN2 and a molecular weight of 263.14 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole.

Molecular Properties

Compound Name3-(4-bromophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole
PubChem CID169337120
Molecular FormulaC12H11BrN2
Molecular Weight263.14 g/mol
Exact Mass262.01
IUPAC Name3-(4-bromophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole
SMILESBrc1ccc(-c2n[nH]c3c2CCC3)cc1
InChIInChI=1S/C12H11BrN2/c13-9-6-4-8(5-7-9)12-10-2-1-3-11(10)14-15-12/h4-7H,1-3H2,(H,14,15)
InChIKeyDLEWQFOPMVTGPW-UHFFFAOYSA-N
XLogP3.33
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.14
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 117061879
3-(4-pyrrolidin-1-ylphenyl)-4,5,6,7-tetrahydro-1H-indazole
CID 168515124
[4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)phenyl]thiourea
CID 169359415
6-(4-bromophenyl)-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 665525
2-[4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)phenyl]isoindole-1,3-dione
CID 168519342
3-(4-bromophenyl)-5-ethyl-4,5,6,7-tetrahydro-1H-indazole
CID 165488279
3-(4-bromophenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110538299
3-[6-(4,5,6,7-tetrahydro-1H-indazol-3-yl)pyrazin-2-yl]-4,5,6,7-tetrahydro-1H-indazole
CID 156661602
3-pyrimidin-2-yl-4,5,6,7-tetrahydro-1H-indazole
CID 123838523
N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-(4,5,6,7-tetrahydro-1H-indazol-3-yl)aniline
CID 166272050
3-(2H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole
CID 11159621
2-(4-bromophenyl)-1-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 108726070

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole?
The IUPAC name of 3-(4-bromophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole (CID 169337120) is 3-(4-bromophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole.
What is the SMILES notation for 3-(4-bromophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole?
The canonical SMILES for 3-(4-bromophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole is Brc1ccc(-c2n[nH]c3c2CCC3)cc1.
What is the InChIKey of 3-(4-bromophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole?
The InChIKey is DLEWQFOPMVTGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2/c13-9-6-4-8(5-7-9)12-10-2-1-3-11(10)14-15-12/h4-7H,1-3H2,(H,14,15).
What are the key properties of 3-(4-bromophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole?
3-(4-bromophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole has a molecular weight of 263.14 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole is sourced from PubChem (CID 169337120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).