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

C12H11F3N2O — CID 134365264

IUPAC3,5-dimethyl-4-[3-(trifluoromethoxy)phenyl]-1H-pyrazole
SMILESCc1n[nH]c(C)c1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C12H11F3N2O/c1-7-11(8(2)17-16-7)9-4-3-5-10(6-9)18-12(13,14)15/h3-6H,1-2H3,(H,16,17)
InChIKeyJNTJWGXVWIIWOC-UHFFFAOYSA-N
MW256.23 g/mol
LogP3.59
Rot. Bonds2

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

3,5-dimethyl-4-[3-(trifluoromethoxy)phenyl]-1H-pyrazole (PubChem CID 134365264) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is 3,5-dimethyl-4-[3-(trifluoromethoxy)phenyl]-1H-pyrazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[3-(trifluoromethoxy)phenyl]-1H-pyrazole
PubChem CID134365264
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC Name3,5-dimethyl-4-[3-(trifluoromethoxy)phenyl]-1H-pyrazole
SMILESCc1n[nH]c(C)c1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C12H11F3N2O/c1-7-11(8(2)17-16-7)9-4-3-5-10(6-9)18-12(13,14)15/h3-6H,1-2H3,(H,16,17)
InChIKeyJNTJWGXVWIIWOC-UHFFFAOYSA-N
XLogP3.59
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,5-dimethyl-1H-pyrazol-4-yl)phenol
CID 164885092
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
1-methyl-3-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzene
CID 169072366
2-bromo-6-[3-(trifluoromethoxy)phenyl]pyrazine
CID 166176460
1-methyl-2-[3-(trifluoromethoxy)phenyl]benzene
CID 18715807
4,5-dimethyl-3-[2-[3-(trifluoromethoxy)phenyl]ethyl]-1H-pyrazole
CID 146175226
2,4-dimethyl-5-[3-(trifluoromethoxy)phenyl]pyrimidine
CID 119023762
4-[3-(trifluoromethoxy)phenyl]pyridine
CID 46317167
3,5-bis[3-(trifluoromethoxy)phenyl]pyridine
CID 134623402
1,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]benzene
CID 57085724
2-methyl-4-[3-(trifluoromethoxy)phenyl]pyridin-3-amine
CID 133086749
4,6-bis(4-fluorophenyl)-2-[3-(trifluoromethoxy)phenyl]pyrimidine
CID 90750927

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[3-(trifluoromethoxy)phenyl]-1H-pyrazole?
The IUPAC name of 3,5-dimethyl-4-[3-(trifluoromethoxy)phenyl]-1H-pyrazole (CID 134365264) is 3,5-dimethyl-4-[3-(trifluoromethoxy)phenyl]-1H-pyrazole.
What is the SMILES notation for 3,5-dimethyl-4-[3-(trifluoromethoxy)phenyl]-1H-pyrazole?
The canonical SMILES for 3,5-dimethyl-4-[3-(trifluoromethoxy)phenyl]-1H-pyrazole is Cc1n[nH]c(C)c1-c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 3,5-dimethyl-4-[3-(trifluoromethoxy)phenyl]-1H-pyrazole?
The InChIKey is JNTJWGXVWIIWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O/c1-7-11(8(2)17-16-7)9-4-3-5-10(6-9)18-12(13,14)15/h3-6H,1-2H3,(H,16,17).
What are the key properties of 3,5-dimethyl-4-[3-(trifluoromethoxy)phenyl]-1H-pyrazole?
3,5-dimethyl-4-[3-(trifluoromethoxy)phenyl]-1H-pyrazole has a molecular weight of 256.23 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[3-(trifluoromethoxy)phenyl]-1H-pyrazole is sourced from PubChem (CID 134365264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).