(4-bromopyrazol-1-yl)-phenylmethanone

C10H7BrN2O — CID 14041589

IUPAC(4-bromopyrazol-1-yl)-phenylmethanone
SMILESO=C(c1ccccc1)n1cc(Br)cn1
InChIInChI=1S/C10H7BrN2O/c11-9-6-12-13(7-9)10(14)8-4-2-1-3-5-8/h1-7H
InChIKeyHLUXTGXWCAZAOJ-UHFFFAOYSA-N
MW251.08 g/mol
LogP2.33
Rot. Bonds1

About (4-bromopyrazol-1-yl)-phenylmethanone

(4-bromopyrazol-1-yl)-phenylmethanone (PubChem CID 14041589) has the molecular formula C10H7BrN2O and a molecular weight of 251.08 g/mol. Its IUPAC name is (4-bromopyrazol-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(4-bromopyrazol-1-yl)-phenylmethanone
PubChem CID14041589
Molecular FormulaC10H7BrN2O
Molecular Weight251.08 g/mol
Exact Mass249.97
IUPAC Name(4-bromopyrazol-1-yl)-phenylmethanone
SMILESO=C(c1ccccc1)n1cc(Br)cn1
InChIInChI=1S/C10H7BrN2O/c11-9-6-12-13(7-9)10(14)8-4-2-1-3-5-8/h1-7H
InChIKeyHLUXTGXWCAZAOJ-UHFFFAOYSA-N
XLogP2.33
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.08
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-Phenyl-2-(1H-pyrazol-1-yl)ethanone
CID 2766375
4-chloro-1-(2-chlorobenzoyl)-1H-pyrazole
CID 674633
4-bromo-1-[(2-methylphenyl)carbonyl]-1H-pyrazole
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4-bromo-1-[(4-methylphenyl)carbonyl]-1H-pyrazole
CID 674656
(1H-pyrazol-1-yl)(o-tolyl)methanone
CID 685230
4-[(3-amino-4-bromo-1H-pyrazol-1-yl)methyl]benzohydrazide
CID 919980
2-bromo-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]benzamide
CID 1225310
4-((1H-pyrazol-1-yl)methyl)-N-hydroxybenzamide
CID 60164723
(4-bromo-1H-pyrazol-1-yl)(2-chloro-4,5-difluorophenyl)methanone
CID 674635

Frequently Asked Questions

What is the IUPAC name of (4-bromopyrazol-1-yl)-phenylmethanone?
The IUPAC name of (4-bromopyrazol-1-yl)-phenylmethanone (CID 14041589) is (4-bromopyrazol-1-yl)-phenylmethanone.
What is the SMILES notation for (4-bromopyrazol-1-yl)-phenylmethanone?
The canonical SMILES for (4-bromopyrazol-1-yl)-phenylmethanone is O=C(c1ccccc1)n1cc(Br)cn1.
What is the InChIKey of (4-bromopyrazol-1-yl)-phenylmethanone?
The InChIKey is HLUXTGXWCAZAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O/c11-9-6-12-13(7-9)10(14)8-4-2-1-3-5-8/h1-7H.
What are the key properties of (4-bromopyrazol-1-yl)-phenylmethanone?
(4-bromopyrazol-1-yl)-phenylmethanone has a molecular weight of 251.08 g/mol, XLogP of 2.33, 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)-phenylmethanone is sourced from PubChem (CID 14041589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).