4,5-dimethyl-3-[2-[3-(trifluoromethoxy)phenyl]ethyl]-1H-pyrazole

C14H15F3N2O — CID 146175226

IUPAC4,5-dimethyl-3-[2-[3-(trifluoromethoxy)phenyl]ethyl]-1H-pyrazole
SMILESCc1[nH]nc(CCc2cccc(OC(F)(F)F)c2)c1C
InChIInChI=1S/C14H15F3N2O/c1-9-10(2)18-19-13(9)7-6-11-4-3-5-12(8-11)20-14(15,16)17/h3-5,8H,6-7H2,1-2H3,(H,18,19)
InChIKeyPKVJREXOBWTANI-UHFFFAOYSA-N
MW284.28 g/mol
LogP3.71
Rot. Bonds4

About 4,5-dimethyl-3-[2-[3-(trifluoromethoxy)phenyl]ethyl]-1H-pyrazole

4,5-dimethyl-3-[2-[3-(trifluoromethoxy)phenyl]ethyl]-1H-pyrazole (PubChem CID 146175226) has the molecular formula C14H15F3N2O and a molecular weight of 284.28 g/mol. Its IUPAC name is 4,5-dimethyl-3-[2-[3-(trifluoromethoxy)phenyl]ethyl]-1H-pyrazole.

Molecular Properties

Compound Name4,5-dimethyl-3-[2-[3-(trifluoromethoxy)phenyl]ethyl]-1H-pyrazole
PubChem CID146175226
Molecular FormulaC14H15F3N2O
Molecular Weight284.28 g/mol
Exact Mass284.11
IUPAC Name4,5-dimethyl-3-[2-[3-(trifluoromethoxy)phenyl]ethyl]-1H-pyrazole
SMILESCc1[nH]nc(CCc2cccc(OC(F)(F)F)c2)c1C
InChIInChI=1S/C14H15F3N2O/c1-9-10(2)18-19-13(9)7-6-11-4-3-5-12(8-11)20-14(15,16)17/h3-5,8H,6-7H2,1-2H3,(H,18,19)
InChIKeyPKVJREXOBWTANI-UHFFFAOYSA-N
XLogP3.71
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-butyl-3-(trifluoromethoxy)benzene
CID 57030134
1-(trifluoromethoxy)-3-[[3-(trifluoromethoxy)phenyl]methyl]benzene
CID 87763466
3,5-dimethyl-4-[3-(trifluoromethoxy)phenyl]-1H-pyrazole
CID 134365264
3-[3-(trifluoromethoxy)phenyl]propan-1-ol
CID 53434391
1-(3-chlorobutyl)-3-(trifluoromethoxy)benzene
CID 64515626
1,5-bis[3-(trifluoromethoxy)phenyl]pentan-3-one
CID 150145529
2,3-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline
CID 107104398
methyl-[[3-(trifluoromethoxy)phenyl]methyl]phosphane
CID 142185562
1-methyl-4-[[3-(trifluoromethoxy)phenyl]methoxy]benzene
CID 143173489
3-[3-(trifluoromethoxy)phenyl]propanoyl chloride
CID 22011082
ethyl 4-[3-(trifluoromethoxy)phenyl]butanoate
CID 86728216
1-[3-(trifluoromethoxy)phenyl]hexan-3-amine
CID 64505790

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-3-[2-[3-(trifluoromethoxy)phenyl]ethyl]-1H-pyrazole?
The IUPAC name of 4,5-dimethyl-3-[2-[3-(trifluoromethoxy)phenyl]ethyl]-1H-pyrazole (CID 146175226) is 4,5-dimethyl-3-[2-[3-(trifluoromethoxy)phenyl]ethyl]-1H-pyrazole.
What is the SMILES notation for 4,5-dimethyl-3-[2-[3-(trifluoromethoxy)phenyl]ethyl]-1H-pyrazole?
The canonical SMILES for 4,5-dimethyl-3-[2-[3-(trifluoromethoxy)phenyl]ethyl]-1H-pyrazole is Cc1[nH]nc(CCc2cccc(OC(F)(F)F)c2)c1C.
What is the InChIKey of 4,5-dimethyl-3-[2-[3-(trifluoromethoxy)phenyl]ethyl]-1H-pyrazole?
The InChIKey is PKVJREXOBWTANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O/c1-9-10(2)18-19-13(9)7-6-11-4-3-5-12(8-11)20-14(15,16)17/h3-5,8H,6-7H2,1-2H3,(H,18,19).
What are the key properties of 4,5-dimethyl-3-[2-[3-(trifluoromethoxy)phenyl]ethyl]-1H-pyrazole?
4,5-dimethyl-3-[2-[3-(trifluoromethoxy)phenyl]ethyl]-1H-pyrazole has a molecular weight of 284.28 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-3-[2-[3-(trifluoromethoxy)phenyl]ethyl]-1H-pyrazole is sourced from PubChem (CID 146175226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).