1-[2-[4-[2-(4-methoxyphenyl)ethoxy]phenyl]ethyl]-3-(trifluoromethyl)pyrazole

C21H21F3N2O2 — CID 162357915

IUPAC1-[2-[4-[2-(4-methoxyphenyl)ethoxy]phenyl]ethyl]-3-(trifluoromethyl)pyrazole
SMILESCOc1ccc(CCOc2ccc(CCn3ccc(C(F)(F)F)n3)cc2)cc1
InChIInChI=1S/C21H21F3N2O2/c1-27-18-6-2-17(3-7-18)12-15-28-19-8-4-16(5-9-19)10-13-26-14-11-20(25-26)21(22,23)24/h2-9,11,14H,10,12-13,15H2,1H3
InChIKeyWHLUUZYVRVZXOF-UHFFFAOYSA-N
MW390.41 g/mol
LogP4.77
Rot. Bonds8

About 1-[2-[4-[2-(4-methoxyphenyl)ethoxy]phenyl]ethyl]-3-(trifluoromethyl)pyrazole

1-[2-[4-[2-(4-methoxyphenyl)ethoxy]phenyl]ethyl]-3-(trifluoromethyl)pyrazole (PubChem CID 162357915) has the molecular formula C21H21F3N2O2 and a molecular weight of 390.41 g/mol. Its IUPAC name is 1-[2-[4-[2-(4-methoxyphenyl)ethoxy]phenyl]ethyl]-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-[2-[4-[2-(4-methoxyphenyl)ethoxy]phenyl]ethyl]-3-(trifluoromethyl)pyrazole
PubChem CID162357915
Molecular FormulaC21H21F3N2O2
Molecular Weight390.41 g/mol
Exact Mass390.16
IUPAC Name1-[2-[4-[2-(4-methoxyphenyl)ethoxy]phenyl]ethyl]-3-(trifluoromethyl)pyrazole
SMILESCOc1ccc(CCOc2ccc(CCn3ccc(C(F)(F)F)n3)cc2)cc1
InChIInChI=1S/C21H21F3N2O2/c1-27-18-6-2-17(3-7-18)12-15-28-19-8-4-16(5-9-19)10-13-26-14-11-20(25-26)21(22,23)24/h2-9,11,14H,10,12-13,15H2,1H3
InChIKeyWHLUUZYVRVZXOF-UHFFFAOYSA-N
XLogP4.77
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[4-(3-phenylpropoxy)phenyl]ethyl]-3-(trifluoromethyl)pyrazole
CID 162357843
1-methoxy-4-(2-phenylethoxy)benzene
CID 101213669
4-[2-(4-methoxyphenyl)ethoxy]-1-methylpyrazole
CID 116794086
1-[(4-methoxyphenyl)methyl]-3-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]thiourea
CID 9478874
1-[2-(4-methoxyphenyl)ethyl]triazol-4-amine
CID 79529466
3-[2-(4-methoxyphenyl)ethoxy]-1,5-dimethylpyrazole
CID 75438240
3-ethoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propan-1-amine
CID 62566934
N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 71684734
N'-[1-(4-methoxyphenyl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide
CID 2351774
1-(4-methylphenoxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 109411689
N,N-dimethyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine
CID 114526778
trimethyl-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]silane
CID 103438540

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[2-(4-methoxyphenyl)ethoxy]phenyl]ethyl]-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-[2-[4-[2-(4-methoxyphenyl)ethoxy]phenyl]ethyl]-3-(trifluoromethyl)pyrazole (CID 162357915) is 1-[2-[4-[2-(4-methoxyphenyl)ethoxy]phenyl]ethyl]-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-[2-[4-[2-(4-methoxyphenyl)ethoxy]phenyl]ethyl]-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-[2-[4-[2-(4-methoxyphenyl)ethoxy]phenyl]ethyl]-3-(trifluoromethyl)pyrazole is COc1ccc(CCOc2ccc(CCn3ccc(C(F)(F)F)n3)cc2)cc1.
What is the InChIKey of 1-[2-[4-[2-(4-methoxyphenyl)ethoxy]phenyl]ethyl]-3-(trifluoromethyl)pyrazole?
The InChIKey is WHLUUZYVRVZXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N2O2/c1-27-18-6-2-17(3-7-18)12-15-28-19-8-4-16(5-9-19)10-13-26-14-11-20(25-26)21(22,23)24/h2-9,11,14H,10,12-13,15H2,1H3.
What are the key properties of 1-[2-[4-[2-(4-methoxyphenyl)ethoxy]phenyl]ethyl]-3-(trifluoromethyl)pyrazole?
1-[2-[4-[2-(4-methoxyphenyl)ethoxy]phenyl]ethyl]-3-(trifluoromethyl)pyrazole has a molecular weight of 390.41 g/mol, XLogP of 4.77, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[2-(4-methoxyphenyl)ethoxy]phenyl]ethyl]-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 162357915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).