[4-bromo-2-(trifluoromethyl)phenyl]-(4-chloro-1-methylpyrazol-5-yl)methanone

C12H7BrClF3N2O — CID 114639788

IUPAC[4-bromo-2-(trifluoromethyl)phenyl]-(4-chloro-1-methylpyrazol-5-yl)methanone
SMILESCn1ncc(Cl)c1C(=O)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C12H7BrClF3N2O/c1-19-10(9(14)5-18-19)11(20)7-3-2-6(13)4-8(7)12(15,16)17/h2-5H,1H3
InChIKeyDMEZODSQQRGXQM-UHFFFAOYSA-N
MW367.55 g/mol
LogP4.09
Rot. Bonds2

About [4-bromo-2-(trifluoromethyl)phenyl]-(4-chloro-1-methylpyrazol-5-yl)methanone

[4-bromo-2-(trifluoromethyl)phenyl]-(4-chloro-1-methylpyrazol-5-yl)methanone (PubChem CID 114639788) has the molecular formula C12H7BrClF3N2O and a molecular weight of 367.55 g/mol. Its IUPAC name is [4-bromo-2-(trifluoromethyl)phenyl]-(4-chloro-1-methylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name[4-bromo-2-(trifluoromethyl)phenyl]-(4-chloro-1-methylpyrazol-5-yl)methanone
PubChem CID114639788
Molecular FormulaC12H7BrClF3N2O
Molecular Weight367.55 g/mol
Exact Mass365.94
IUPAC Name[4-bromo-2-(trifluoromethyl)phenyl]-(4-chloro-1-methylpyrazol-5-yl)methanone
SMILESCn1ncc(Cl)c1C(=O)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C12H7BrClF3N2O/c1-19-10(9(14)5-18-19)11(20)7-3-2-6(13)4-8(7)12(15,16)17/h2-5H,1H3
InChIKeyDMEZODSQQRGXQM-UHFFFAOYSA-N
XLogP4.09
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.55
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-bromo-2-(trifluoromethyl)phenyl]-(3,4-dichlorophenyl)methanone
CID 63409381
(4-chloro-1-methylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 115809281
(2-bromo-3-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanone
CID 107984639
(4-chloro-1-methylpyrazol-5-yl)-(3-chloro-4-pyridinyl)methanone
CID 105132628
[4-bromo-2-(trifluoromethyl)phenyl]-(5-chloro-2-hydroxyphenyl)methanone
CID 58962414
(4-chloro-1-ethylpyrazol-5-yl)-(2,4-dibromophenyl)methanone
CID 114019163
(2,4-dibromophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 107944797
4-bromo-N-(2,5-dimethylpyrazol-3-yl)-2-(trifluoromethyl)benzamide
CID 103924603
(4-bromo-2-chlorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanone
CID 115804548
1-[4-bromo-2-(trifluoromethyl)phenyl]-2,2-dimethylbutan-1-one
CID 146011270
[4-bromo-2-(trifluoromethyl)phenyl]-(2,5-dimethylfuran-3-yl)methanone
CID 107332666
(4-bromo-2-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 115809747

Frequently Asked Questions

What is the IUPAC name of [4-bromo-2-(trifluoromethyl)phenyl]-(4-chloro-1-methylpyrazol-5-yl)methanone?
The IUPAC name of [4-bromo-2-(trifluoromethyl)phenyl]-(4-chloro-1-methylpyrazol-5-yl)methanone (CID 114639788) is [4-bromo-2-(trifluoromethyl)phenyl]-(4-chloro-1-methylpyrazol-5-yl)methanone.
What is the SMILES notation for [4-bromo-2-(trifluoromethyl)phenyl]-(4-chloro-1-methylpyrazol-5-yl)methanone?
The canonical SMILES for [4-bromo-2-(trifluoromethyl)phenyl]-(4-chloro-1-methylpyrazol-5-yl)methanone is Cn1ncc(Cl)c1C(=O)c1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of [4-bromo-2-(trifluoromethyl)phenyl]-(4-chloro-1-methylpyrazol-5-yl)methanone?
The InChIKey is DMEZODSQQRGXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClF3N2O/c1-19-10(9(14)5-18-19)11(20)7-3-2-6(13)4-8(7)12(15,16)17/h2-5H,1H3.
What are the key properties of [4-bromo-2-(trifluoromethyl)phenyl]-(4-chloro-1-methylpyrazol-5-yl)methanone?
[4-bromo-2-(trifluoromethyl)phenyl]-(4-chloro-1-methylpyrazol-5-yl)methanone has a molecular weight of 367.55 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-2-(trifluoromethyl)phenyl]-(4-chloro-1-methylpyrazol-5-yl)methanone is sourced from PubChem (CID 114639788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).