2-(4-bromopyrazol-1-yl)-1-cyclohexylethanone

C11H15BrN2O — CID 115641053

IUPAC2-(4-bromopyrazol-1-yl)-1-cyclohexylethanone
SMILESO=C(Cn1cc(Br)cn1)C1CCCCC1
InChIInChI=1S/C11H15BrN2O/c12-10-6-13-14(7-10)8-11(15)9-4-2-1-3-5-9/h6-7,9H,1-5,8H2
InChIKeyDGWJOIRMJPDMMR-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.80
Rot. Bonds3

About 2-(4-bromopyrazol-1-yl)-1-cyclohexylethanone

2-(4-bromopyrazol-1-yl)-1-cyclohexylethanone (PubChem CID 115641053) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-1-cyclohexylethanone.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-1-cyclohexylethanone
PubChem CID115641053
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name2-(4-bromopyrazol-1-yl)-1-cyclohexylethanone
SMILESO=C(Cn1cc(Br)cn1)C1CCCCC1
InChIInChI=1S/C11H15BrN2O/c12-10-6-13-14(7-10)8-11(15)9-4-2-1-3-5-9/h6-7,9H,1-5,8H2
InChIKeyDGWJOIRMJPDMMR-UHFFFAOYSA-N
XLogP2.80
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-1-cyclohexylethanone?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-1-cyclohexylethanone (CID 115641053) is 2-(4-bromopyrazol-1-yl)-1-cyclohexylethanone.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-1-cyclohexylethanone?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-1-cyclohexylethanone is O=C(Cn1cc(Br)cn1)C1CCCCC1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-1-cyclohexylethanone?
The InChIKey is DGWJOIRMJPDMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c12-10-6-13-14(7-10)8-11(15)9-4-2-1-3-5-9/h6-7,9H,1-5,8H2.
What are the key properties of 2-(4-bromopyrazol-1-yl)-1-cyclohexylethanone?
2-(4-bromopyrazol-1-yl)-1-cyclohexylethanone has a molecular weight of 271.16 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-1-cyclohexylethanone is sourced from PubChem (CID 115641053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).