1-(2-bromo-3-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine

C13H14BrN3 — CID 102943027

IUPAC1-(2-bromo-3-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine
SMILESCc1cccc(-n2nc(N)c3c2CCC3)c1Br
InChIInChI=1S/C13H14BrN3/c1-8-4-2-7-11(12(8)14)17-10-6-3-5-9(10)13(15)16-17/h2,4,7H,3,5-6H2,1H3,(H2,15,16)
InChIKeyAPIZKZGWWGTDOI-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.01
Rot. Bonds1

About 1-(2-bromo-3-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine

1-(2-bromo-3-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine (PubChem CID 102943027) has the molecular formula C13H14BrN3 and a molecular weight of 292.18 g/mol. Its IUPAC name is 1-(2-bromo-3-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine.

Molecular Properties

Compound Name1-(2-bromo-3-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine
PubChem CID102943027
Molecular FormulaC13H14BrN3
Molecular Weight292.18 g/mol
Exact Mass291.04
IUPAC Name1-(2-bromo-3-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine
SMILESCc1cccc(-n2nc(N)c3c2CCC3)c1Br
InChIInChI=1S/C13H14BrN3/c1-8-4-2-7-11(12(8)14)17-10-6-3-5-9(10)13(15)16-17/h2,4,7H,3,5-6H2,1H3,(H2,15,16)
InChIKeyAPIZKZGWWGTDOI-UHFFFAOYSA-N
XLogP3.01
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-quinolin-5-yl-4,5,6,7-tetrahydroindazol-3-amine
CID 102942328
1-(5-bromo-2-iodophenyl)-4,5,6,7-tetrahydroindazol-3-amine
CID 114261534
1-(4-bromo-3-iodophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine
CID 114261535
1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbaldehyde
CID 83863008
1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine;hydrochloride
CID 122156936
1-naphthalen-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine
CID 102942368
1-(2-chloro-4-iodophenyl)-4,5,6,7-tetrahydroindazol-3-amine
CID 107608587
1-(2-chloro-5-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-amine
CID 107532030
1-(2-bromo-3-methylphenyl)-3-methyl-1,2,4-triazole
CID 166607450
1-(4-methyl-3-nitrophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine
CID 102942644
1-naphthalen-2-yl-4,5,6,7-tetrahydroindazol-3-amine
CID 102942370
2-(3-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)benzonitrile
CID 105480725

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine?
The IUPAC name of 1-(2-bromo-3-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine (CID 102943027) is 1-(2-bromo-3-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine.
What is the SMILES notation for 1-(2-bromo-3-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine?
The canonical SMILES for 1-(2-bromo-3-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine is Cc1cccc(-n2nc(N)c3c2CCC3)c1Br.
What is the InChIKey of 1-(2-bromo-3-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine?
The InChIKey is APIZKZGWWGTDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3/c1-8-4-2-7-11(12(8)14)17-10-6-3-5-9(10)13(15)16-17/h2,4,7H,3,5-6H2,1H3,(H2,15,16).
What are the key properties of 1-(2-bromo-3-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine?
1-(2-bromo-3-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine has a molecular weight of 292.18 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine is sourced from PubChem (CID 102943027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).