(4-bromopyrazol-1-yl)-(3-methylphenyl)methanone

C11H9BrN2O — CID 674653

IUPAC(4-bromopyrazol-1-yl)-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)n2cc(Br)cn2)c1
InChIInChI=1S/C11H9BrN2O/c1-8-3-2-4-9(5-8)11(15)14-7-10(12)6-13-14/h2-7H,1H3
InChIKeyWACJMZOPBBWBAJ-UHFFFAOYSA-N
MW265.11 g/mol
LogP2.64
Rot. Bonds1

About (4-bromopyrazol-1-yl)-(3-methylphenyl)methanone

(4-bromopyrazol-1-yl)-(3-methylphenyl)methanone (PubChem CID 674653) has the molecular formula C11H9BrN2O and a molecular weight of 265.11 g/mol. Its IUPAC name is (4-bromopyrazol-1-yl)-(3-methylphenyl)methanone.

Molecular Properties

Compound Name(4-bromopyrazol-1-yl)-(3-methylphenyl)methanone
PubChem CID674653
Molecular FormulaC11H9BrN2O
Molecular Weight265.11 g/mol
Exact Mass263.99
IUPAC Name(4-bromopyrazol-1-yl)-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)n2cc(Br)cn2)c1
InChIInChI=1S/C11H9BrN2O/c1-8-3-2-4-9(5-8)11(15)14-7-10(12)6-13-14/h2-7H,1H3
InChIKeyWACJMZOPBBWBAJ-UHFFFAOYSA-N
XLogP2.64
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.11
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-bromopyrazol-1-yl)-(3-methylphenyl)methanone?
The IUPAC name of (4-bromopyrazol-1-yl)-(3-methylphenyl)methanone (CID 674653) is (4-bromopyrazol-1-yl)-(3-methylphenyl)methanone.
What is the SMILES notation for (4-bromopyrazol-1-yl)-(3-methylphenyl)methanone?
The canonical SMILES for (4-bromopyrazol-1-yl)-(3-methylphenyl)methanone is Cc1cccc(C(=O)n2cc(Br)cn2)c1.
What is the InChIKey of (4-bromopyrazol-1-yl)-(3-methylphenyl)methanone?
The InChIKey is WACJMZOPBBWBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O/c1-8-3-2-4-9(5-8)11(15)14-7-10(12)6-13-14/h2-7H,1H3.
What are the key properties of (4-bromopyrazol-1-yl)-(3-methylphenyl)methanone?
(4-bromopyrazol-1-yl)-(3-methylphenyl)methanone has a molecular weight of 265.11 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromopyrazol-1-yl)-(3-methylphenyl)methanone is sourced from PubChem (CID 674653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).