4-[(2-bromophenyl)methoxy]-1-(2,2,2-trifluoroethyl)pyrazole

C12H10BrF3N2O — CID 155907462

IUPAC4-[(2-bromophenyl)methoxy]-1-(2,2,2-trifluoroethyl)pyrazole
SMILESFC(F)(F)Cn1cc(OCc2ccccc2Br)cn1
InChIInChI=1S/C12H10BrF3N2O/c13-11-4-2-1-3-9(11)7-19-10-5-17-18(6-10)8-12(14,15)16/h1-6H,7-8H2
InChIKeyWNOHQOBBCHWDBM-UHFFFAOYSA-N
MW335.12 g/mol
LogP3.79
Rot. Bonds4

About 4-[(2-bromophenyl)methoxy]-1-(2,2,2-trifluoroethyl)pyrazole

4-[(2-bromophenyl)methoxy]-1-(2,2,2-trifluoroethyl)pyrazole (PubChem CID 155907462) has the molecular formula C12H10BrF3N2O and a molecular weight of 335.12 g/mol. Its IUPAC name is 4-[(2-bromophenyl)methoxy]-1-(2,2,2-trifluoroethyl)pyrazole.

Molecular Properties

Compound Name4-[(2-bromophenyl)methoxy]-1-(2,2,2-trifluoroethyl)pyrazole
PubChem CID155907462
Molecular FormulaC12H10BrF3N2O
Molecular Weight335.12 g/mol
Exact Mass333.99
IUPAC Name4-[(2-bromophenyl)methoxy]-1-(2,2,2-trifluoroethyl)pyrazole
SMILESFC(F)(F)Cn1cc(OCc2ccccc2Br)cn1
InChIInChI=1S/C12H10BrF3N2O/c13-11-4-2-1-3-9(11)7-19-10-5-17-18(6-10)8-12(14,15)16/h1-6H,7-8H2
InChIKeyWNOHQOBBCHWDBM-UHFFFAOYSA-N
XLogP3.79
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.12
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[(2-bromophenyl)methoxy]-1-(2,2,2-trifluoroethyl)pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2-bromophenyl)methoxy]-1-ethylpyrazole
CID 116804675
2-[(1-benzylpyrazol-4-yl)oxymethyl]phenol
CID 117234046
3-bromo-4-[(1-ethylpyrazol-4-yl)oxymethyl]benzoic acid
CID 102765633
4-[(2-bromophenyl)methoxy]phenol
CID 43143380
[3-bromo-4-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]methanamine
CID 102774129
2-(2-bromophenoxy)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide
CID 110278322
2-bromo-4-[(2-bromophenyl)methoxy]-1-fluorobenzene
CID 83232064
1-[2-[(2-bromophenyl)methoxy]ethyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 90257804
4-(2-bromo-4-chlorophenyl)-1-(2,2,2-trifluoroethyl)pyrazole
CID 135205319
4-[(2-methoxyphenyl)methoxy]-1-methylpyrazole
CID 116794197
4-[(2-bromo-4-nitrophenyl)methoxy]-1-ethylpyrazole
CID 116804773
methyl 2-[(1-ethylpyrazol-4-yl)oxymethyl]benzoate
CID 116800061

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromophenyl)methoxy]-1-(2,2,2-trifluoroethyl)pyrazole?
The IUPAC name of 4-[(2-bromophenyl)methoxy]-1-(2,2,2-trifluoroethyl)pyrazole (CID 155907462) is 4-[(2-bromophenyl)methoxy]-1-(2,2,2-trifluoroethyl)pyrazole.
What is the SMILES notation for 4-[(2-bromophenyl)methoxy]-1-(2,2,2-trifluoroethyl)pyrazole?
The canonical SMILES for 4-[(2-bromophenyl)methoxy]-1-(2,2,2-trifluoroethyl)pyrazole is FC(F)(F)Cn1cc(OCc2ccccc2Br)cn1.
What is the InChIKey of 4-[(2-bromophenyl)methoxy]-1-(2,2,2-trifluoroethyl)pyrazole?
The InChIKey is WNOHQOBBCHWDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrF3N2O/c13-11-4-2-1-3-9(11)7-19-10-5-17-18(6-10)8-12(14,15)16/h1-6H,7-8H2.
What are the key properties of 4-[(2-bromophenyl)methoxy]-1-(2,2,2-trifluoroethyl)pyrazole?
4-[(2-bromophenyl)methoxy]-1-(2,2,2-trifluoroethyl)pyrazole has a molecular weight of 335.12 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromophenyl)methoxy]-1-(2,2,2-trifluoroethyl)pyrazole is sourced from PubChem (CID 155907462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).