(4-bromo-1-ethylpyrazol-5-yl)-[3-(trifluoromethyl)phenyl]methanone

C13H10BrF3N2O — CID 114638877

IUPAC(4-bromo-1-ethylpyrazol-5-yl)-[3-(trifluoromethyl)phenyl]methanone
SMILESCCn1ncc(Br)c1C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H10BrF3N2O/c1-2-19-11(10(14)7-18-19)12(20)8-4-3-5-9(6-8)13(15,16)17/h3-7H,2H2,1H3
InChIKeyTZYHETZNRKKLIX-UHFFFAOYSA-N
MW347.13 g/mol
LogP3.92
Rot. Bonds3

About (4-bromo-1-ethylpyrazol-5-yl)-[3-(trifluoromethyl)phenyl]methanone

(4-bromo-1-ethylpyrazol-5-yl)-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 114638877) has the molecular formula C13H10BrF3N2O and a molecular weight of 347.13 g/mol. Its IUPAC name is (4-bromo-1-ethylpyrazol-5-yl)-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-bromo-1-ethylpyrazol-5-yl)-[3-(trifluoromethyl)phenyl]methanone
PubChem CID114638877
Molecular FormulaC13H10BrF3N2O
Molecular Weight347.13 g/mol
Exact Mass345.99
IUPAC Name(4-bromo-1-ethylpyrazol-5-yl)-[3-(trifluoromethyl)phenyl]methanone
SMILESCCn1ncc(Br)c1C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H10BrF3N2O/c1-2-19-11(10(14)7-18-19)12(20)8-4-3-5-9(6-8)13(15,16)17/h3-7H,2H2,1H3
InChIKeyTZYHETZNRKKLIX-UHFFFAOYSA-N
XLogP3.92
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.13
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-1-ethylpyrazol-5-yl)-(3-bromophenyl)methanone
CID 114639062
(3-aminophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanone
CID 114668097
(4-bromo-1-propylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 115804628
(4-bromo-1-ethylpyrazol-5-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 115803593
(3-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanone
CID 114642070
[4-(aminomethyl)phenyl]-(4-bromo-1-ethylpyrazol-5-yl)methanone
CID 114668071
1-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 19328827
(4-bromo-1-propylpyrazol-5-yl)-[3-(difluoromethoxy)phenyl]methanone
CID 115804609
(4-chloro-1-ethylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 57229861
(4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-2-ylmethanone
CID 114639327
[2-amino-5-(trifluoromethyl)phenyl]-(4-chloro-1-ethylpyrazol-5-yl)methanone
CID 114642238
(E)-1-(4-bromo-1-ethylpyrazol-5-yl)-3-[5-[[3-(trifluoromethyl)phenoxy]methyl]furan-2-yl]prop-2-en-1-one
CID 19569295

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-[3-(trifluoromethyl)phenyl]methanone (CID 114638877) is (4-bromo-1-ethylpyrazol-5-yl)-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (4-bromo-1-ethylpyrazol-5-yl)-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (4-bromo-1-ethylpyrazol-5-yl)-[3-(trifluoromethyl)phenyl]methanone is CCn1ncc(Br)c1C(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of (4-bromo-1-ethylpyrazol-5-yl)-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is TZYHETZNRKKLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF3N2O/c1-2-19-11(10(14)7-18-19)12(20)8-4-3-5-9(6-8)13(15,16)17/h3-7H,2H2,1H3.
What are the key properties of (4-bromo-1-ethylpyrazol-5-yl)-[3-(trifluoromethyl)phenyl]methanone?
(4-bromo-1-ethylpyrazol-5-yl)-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 347.13 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-ethylpyrazol-5-yl)-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 114638877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).