3-bromo-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole

C7H9BrN2 — CID 84669818

IUPAC3-bromo-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole
SMILESCn1nc(Br)c2c1CCC2
InChIInChI=1S/C7H9BrN2/c1-10-6-4-2-3-5(6)7(8)9-10/h2-4H2,1H3
InChIKeyLAKJKXHBJKIKNC-UHFFFAOYSA-N
MW201.07 g/mol
LogP1.67
Rot. Bonds

About 3-bromo-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole

3-bromo-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole (PubChem CID 84669818) has the molecular formula C7H9BrN2 and a molecular weight of 201.07 g/mol. Its IUPAC name is 3-bromo-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole.

Molecular Properties

Compound Name3-bromo-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole
PubChem CID84669818
Molecular FormulaC7H9BrN2
Molecular Weight201.07 g/mol
Exact Mass199.99
IUPAC Name3-bromo-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole
SMILESCn1nc(Br)c2c1CCC2
InChIInChI=1S/C7H9BrN2/c1-10-6-4-2-3-5(6)7(8)9-10/h2-4H2,1H3
InChIKeyLAKJKXHBJKIKNC-UHFFFAOYSA-N
XLogP1.67
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.07
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole?
The IUPAC name of 3-bromo-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole (CID 84669818) is 3-bromo-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole.
What is the SMILES notation for 3-bromo-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole?
The canonical SMILES for 3-bromo-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole is Cn1nc(Br)c2c1CCC2.
What is the InChIKey of 3-bromo-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole?
The InChIKey is LAKJKXHBJKIKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2/c1-10-6-4-2-3-5(6)7(8)9-10/h2-4H2,1H3.
What are the key properties of 3-bromo-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole?
3-bromo-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole has a molecular weight of 201.07 g/mol, XLogP of 1.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole is sourced from PubChem (CID 84669818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).