(4-bromo-1-methylpyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanone

C12H10BrFN2O — CID 115815019

IUPAC(4-bromo-1-methylpyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanone
SMILESCc1ccc(F)c(C(=O)c2c(Br)cnn2C)c1
InChIInChI=1S/C12H10BrFN2O/c1-7-3-4-10(14)8(5-7)12(17)11-9(13)6-15-16(11)2/h3-6H,1-2H3
InChIKeyNLKCAWUCPMNUJO-UHFFFAOYSA-N
MW297.13 g/mol
LogP2.86
Rot. Bonds2

About (4-bromo-1-methylpyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanone

(4-bromo-1-methylpyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanone (PubChem CID 115815019) has the molecular formula C12H10BrFN2O and a molecular weight of 297.13 g/mol. Its IUPAC name is (4-bromo-1-methylpyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanone.

Molecular Properties

Compound Name(4-bromo-1-methylpyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanone
PubChem CID115815019
Molecular FormulaC12H10BrFN2O
Molecular Weight297.13 g/mol
Exact Mass296.00
IUPAC Name(4-bromo-1-methylpyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanone
SMILESCc1ccc(F)c(C(=O)c2c(Br)cnn2C)c1
InChIInChI=1S/C12H10BrFN2O/c1-7-3-4-10(14)8(5-7)12(17)11-9(13)6-15-16(11)2/h3-6H,1-2H3
InChIKeyNLKCAWUCPMNUJO-UHFFFAOYSA-N
XLogP2.86
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.13
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1,5-dimethylpyrazol-4-yl)-(2-fluoro-5-methylphenyl)methanone
CID 105096035
(2-amino-5-fluorophenyl)-(4-bromo-1-methylpyrazol-5-yl)methanone
CID 114642162
(4-bromo-1-methylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanone
CID 114877543
(5-bromo-2-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanone
CID 114894379
(4-bromo-1-methylpyrazol-5-yl)-(2-chloro-3-methylphenyl)methanone
CID 115814983
(2-bromo-4-fluorophenyl)-(2-fluoro-5-methylphenyl)methanone
CID 114970853
(4-bromo-1-methylpyrazol-5-yl)-(5-fluoro-2-pyridinyl)methanone
CID 114641496
(1-ethyl-4-methoxypyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanone
CID 115810306
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,5-dimethylphenyl)methanone
CID 115805999
(1,3-dimethylpyrazol-4-yl)-(2-fluoro-5-methylphenyl)methanone
CID 102802735
(3-bromothiophen-2-yl)-(2-fluoro-5-methylphenyl)methanone
CID 80535211
(4-bromo-1-methylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methanol
CID 115839156

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanone?
The IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanone (CID 115815019) is (4-bromo-1-methylpyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanone.
What is the SMILES notation for (4-bromo-1-methylpyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanone?
The canonical SMILES for (4-bromo-1-methylpyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanone is Cc1ccc(F)c(C(=O)c2c(Br)cnn2C)c1.
What is the InChIKey of (4-bromo-1-methylpyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanone?
The InChIKey is NLKCAWUCPMNUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O/c1-7-3-4-10(14)8(5-7)12(17)11-9(13)6-15-16(11)2/h3-6H,1-2H3.
What are the key properties of (4-bromo-1-methylpyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanone?
(4-bromo-1-methylpyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanone has a molecular weight of 297.13 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-methylpyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanone is sourced from PubChem (CID 115815019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).