3,5-dibromo-1-(2-cyclopropylethyl)pyrazole

C8H10Br2N2 — CID 114692645

IUPAC3,5-dibromo-1-(2-cyclopropylethyl)pyrazole
SMILESBrc1cc(Br)n(CCC2CC2)n1
InChIInChI=1S/C8H10Br2N2/c9-7-5-8(10)12(11-7)4-3-6-1-2-6/h5-6H,1-4H2
InChIKeyAHJBNTCNVDFOIK-UHFFFAOYSA-N
MW293.99 g/mol
LogP3.21
Rot. Bonds3

About 3,5-dibromo-1-(2-cyclopropylethyl)pyrazole

3,5-dibromo-1-(2-cyclopropylethyl)pyrazole (PubChem CID 114692645) has the molecular formula C8H10Br2N2 and a molecular weight of 293.99 g/mol. Its IUPAC name is 3,5-dibromo-1-(2-cyclopropylethyl)pyrazole.

Molecular Properties

Compound Name3,5-dibromo-1-(2-cyclopropylethyl)pyrazole
PubChem CID114692645
Molecular FormulaC8H10Br2N2
Molecular Weight293.99 g/mol
Exact Mass291.92
IUPAC Name3,5-dibromo-1-(2-cyclopropylethyl)pyrazole
SMILESBrc1cc(Br)n(CCC2CC2)n1
InChIInChI=1S/C8H10Br2N2/c9-7-5-8(10)12(11-7)4-3-6-1-2-6/h5-6H,1-4H2
InChIKeyAHJBNTCNVDFOIK-UHFFFAOYSA-N
XLogP3.21
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.99
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-1-(2-cyclopropylethyl)pyrazole?
The IUPAC name of 3,5-dibromo-1-(2-cyclopropylethyl)pyrazole (CID 114692645) is 3,5-dibromo-1-(2-cyclopropylethyl)pyrazole.
What is the SMILES notation for 3,5-dibromo-1-(2-cyclopropylethyl)pyrazole?
The canonical SMILES for 3,5-dibromo-1-(2-cyclopropylethyl)pyrazole is Brc1cc(Br)n(CCC2CC2)n1.
What is the InChIKey of 3,5-dibromo-1-(2-cyclopropylethyl)pyrazole?
The InChIKey is AHJBNTCNVDFOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Br2N2/c9-7-5-8(10)12(11-7)4-3-6-1-2-6/h5-6H,1-4H2.
What are the key properties of 3,5-dibromo-1-(2-cyclopropylethyl)pyrazole?
3,5-dibromo-1-(2-cyclopropylethyl)pyrazole has a molecular weight of 293.99 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-1-(2-cyclopropylethyl)pyrazole is sourced from PubChem (CID 114692645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).