1-[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]cyclopropyl]ethanone

C11H15BrN2O — CID 106797116

IUPAC1-[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]cyclopropyl]ethanone
SMILESCC(=O)C1(Cc2c(Br)c(C)nn2C)CC1
InChIInChI=1S/C11H15BrN2O/c1-7-10(12)9(14(3)13-7)6-11(4-5-11)8(2)15/h4-6H2,1-3H3
InChIKeyOWAUUKMYVFSTFD-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.40
Rot. Bonds3

About 1-[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]cyclopropyl]ethanone

1-[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]cyclopropyl]ethanone (PubChem CID 106797116) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 1-[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]cyclopropyl]ethanone
PubChem CID106797116
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name1-[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]cyclopropyl]ethanone
SMILESCC(=O)C1(Cc2c(Br)c(C)nn2C)CC1
InChIInChI=1S/C11H15BrN2O/c1-7-10(12)9(14(3)13-7)6-11(4-5-11)8(2)15/h4-6H2,1-3H3
InChIKeyOWAUUKMYVFSTFD-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]cyclopropyl]ethanone?
The IUPAC name of 1-[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]cyclopropyl]ethanone (CID 106797116) is 1-[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]cyclopropyl]ethanone.
What is the SMILES notation for 1-[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]cyclopropyl]ethanone?
The canonical SMILES for 1-[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]cyclopropyl]ethanone is CC(=O)C1(Cc2c(Br)c(C)nn2C)CC1.
What is the InChIKey of 1-[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]cyclopropyl]ethanone?
The InChIKey is OWAUUKMYVFSTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-7-10(12)9(14(3)13-7)6-11(4-5-11)8(2)15/h4-6H2,1-3H3.
What are the key properties of 1-[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]cyclopropyl]ethanone?
1-[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]cyclopropyl]ethanone has a molecular weight of 271.16 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]cyclopropyl]ethanone is sourced from PubChem (CID 106797116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).