4,5-dibromo-1-cyclopentylpyrazole

C8H10Br2N2 — CID 115053117

IUPAC4,5-dibromo-1-cyclopentylpyrazole
SMILESBrc1cnn(C2CCCC2)c1Br
InChIInChI=1S/C8H10Br2N2/c9-7-5-11-12(8(7)10)6-3-1-2-4-6/h5-6H,1-4H2
InChIKeyODZPKNBVRPPBFF-UHFFFAOYSA-N
MW293.99 g/mol
LogP3.52
Rot. Bonds1

About 4,5-dibromo-1-cyclopentylpyrazole

4,5-dibromo-1-cyclopentylpyrazole (PubChem CID 115053117) has the molecular formula C8H10Br2N2 and a molecular weight of 293.99 g/mol. Its IUPAC name is 4,5-dibromo-1-cyclopentylpyrazole.

Molecular Properties

Compound Name4,5-dibromo-1-cyclopentylpyrazole
PubChem CID115053117
Molecular FormulaC8H10Br2N2
Molecular Weight293.99 g/mol
Exact Mass291.92
IUPAC Name4,5-dibromo-1-cyclopentylpyrazole
SMILESBrc1cnn(C2CCCC2)c1Br
InChIInChI=1S/C8H10Br2N2/c9-7-5-11-12(8(7)10)6-3-1-2-4-6/h5-6H,1-4H2
InChIKeyODZPKNBVRPPBFF-UHFFFAOYSA-N
XLogP3.52
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.99
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-1-cyclobutylpyrazol-4-ol
CID 117233141
3-(5-bromo-1-cyclopentylpyrazol-4-yl)propan-1-amine
CID 115050624
4-bromo-1-cyclopropylpyrazol-5-amine
CID 83382905
4-bromo-5-(butan-2-yloxymethyl)-1-cyclopentylpyrazole
CID 122171122
4-bromo-1-(1-ethylazepan-4-yl)pyrazol-5-amine
CID 65078401
5-bromo-1-(1,1-dioxothian-4-yl)pyrazol-4-amine
CID 115053194
4-bromo-5-fluoro-1-(thian-4-yl)pyrazole
CID 115049312
4-(bromomethyl)-1-cyclopentyl-5-(trifluoromethyl)pyrazole
CID 66438820
5-bromo-1-(thian-4-yl)pyrazol-4-ol
CID 117231871
3-(4-bromo-5-chloropyrazol-1-yl)piperidine
CID 83672051
4-(bromomethyl)-1-cyclohexyl-5-(difluoromethyl)pyrazole
CID 66439455
5-bromo-1-cyclobutyl-4-iodopyrazole;1-cyclobutyl-4-iodopyrazole;tetrabromomethane
CID 165049120

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-1-cyclopentylpyrazole?
The IUPAC name of 4,5-dibromo-1-cyclopentylpyrazole (CID 115053117) is 4,5-dibromo-1-cyclopentylpyrazole.
What is the SMILES notation for 4,5-dibromo-1-cyclopentylpyrazole?
The canonical SMILES for 4,5-dibromo-1-cyclopentylpyrazole is Brc1cnn(C2CCCC2)c1Br.
What is the InChIKey of 4,5-dibromo-1-cyclopentylpyrazole?
The InChIKey is ODZPKNBVRPPBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Br2N2/c9-7-5-11-12(8(7)10)6-3-1-2-4-6/h5-6H,1-4H2.
What are the key properties of 4,5-dibromo-1-cyclopentylpyrazole?
4,5-dibromo-1-cyclopentylpyrazole has a molecular weight of 293.99 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-1-cyclopentylpyrazole is sourced from PubChem (CID 115053117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).