1-(4-bromopyrazol-1-yl)-3-(4-fluorophenyl)propan-2-one

C12H10BrFN2O — CID 54909325

IUPAC1-(4-bromopyrazol-1-yl)-3-(4-fluorophenyl)propan-2-one
SMILESO=C(Cc1ccc(F)cc1)Cn1cc(Br)cn1
InChIInChI=1S/C12H10BrFN2O/c13-10-6-15-16(7-10)8-12(17)5-9-1-3-11(14)4-2-9/h1-4,6-7H,5,8H2
InChIKeyMMXHCQTVSPSCGC-UHFFFAOYSA-N
MW297.13 g/mol
LogP2.60
Rot. Bonds4

About 1-(4-bromopyrazol-1-yl)-3-(4-fluorophenyl)propan-2-one

1-(4-bromopyrazol-1-yl)-3-(4-fluorophenyl)propan-2-one (PubChem CID 54909325) has the molecular formula C12H10BrFN2O and a molecular weight of 297.13 g/mol. Its IUPAC name is 1-(4-bromopyrazol-1-yl)-3-(4-fluorophenyl)propan-2-one.

Molecular Properties

Compound Name1-(4-bromopyrazol-1-yl)-3-(4-fluorophenyl)propan-2-one
PubChem CID54909325
Molecular FormulaC12H10BrFN2O
Molecular Weight297.13 g/mol
Exact Mass296.00
IUPAC Name1-(4-bromopyrazol-1-yl)-3-(4-fluorophenyl)propan-2-one
SMILESO=C(Cc1ccc(F)cc1)Cn1cc(Br)cn1
InChIInChI=1S/C12H10BrFN2O/c13-10-6-15-16(7-10)8-12(17)5-9-1-3-11(14)4-2-9/h1-4,6-7H,5,8H2
InChIKeyMMXHCQTVSPSCGC-UHFFFAOYSA-N
XLogP2.60
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.13
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromopyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide
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1-(4-chloropyrazol-1-yl)-3-phenylpropan-2-one
CID 14882325
2-(4-bromopyrazol-1-yl)-1-(5-bromothiophen-2-yl)ethanone
CID 61034668
1-(3-bromophenyl)-2-(4-bromopyrazol-1-yl)ethanone
CID 61035282
2-(4-fluorophenyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
CID 95741406
1-[3-(4-fluorophenyl)-2-oxopropyl]pyridin-4-one
CID 55127329
2-(4-bromopyrazol-1-yl)-1-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]ethanone
CID 19527807
4-bromo-1-[2-(4-fluorophenoxy)ethyl]pyrazole
CID 60588401
1-(4-fluorophenyl)-3-pyridin-4-ylpropan-2-one
CID 62551750
N-(azetidin-3-yl)-2-(4-bromopyrazol-1-yl)acetamide;hydrochloride
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(E)-N-[3-(4-bromopyrazol-1-yl)propyl]-3-(4-fluorophenyl)prop-2-enamide
CID 19295855

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromopyrazol-1-yl)-3-(4-fluorophenyl)propan-2-one?
The IUPAC name of 1-(4-bromopyrazol-1-yl)-3-(4-fluorophenyl)propan-2-one (CID 54909325) is 1-(4-bromopyrazol-1-yl)-3-(4-fluorophenyl)propan-2-one.
What is the SMILES notation for 1-(4-bromopyrazol-1-yl)-3-(4-fluorophenyl)propan-2-one?
The canonical SMILES for 1-(4-bromopyrazol-1-yl)-3-(4-fluorophenyl)propan-2-one is O=C(Cc1ccc(F)cc1)Cn1cc(Br)cn1.
What is the InChIKey of 1-(4-bromopyrazol-1-yl)-3-(4-fluorophenyl)propan-2-one?
The InChIKey is MMXHCQTVSPSCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O/c13-10-6-15-16(7-10)8-12(17)5-9-1-3-11(14)4-2-9/h1-4,6-7H,5,8H2.
What are the key properties of 1-(4-bromopyrazol-1-yl)-3-(4-fluorophenyl)propan-2-one?
1-(4-bromopyrazol-1-yl)-3-(4-fluorophenyl)propan-2-one has a molecular weight of 297.13 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromopyrazol-1-yl)-3-(4-fluorophenyl)propan-2-one is sourced from PubChem (CID 54909325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).