[2-(trifluoromethyl)phenyl]methyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate

C19H23F3N2O2 — CID 55425615

IUPAC[2-(trifluoromethyl)phenyl]methyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate
SMILESCc1nn(CC(C)C)c(C)c1CC(=O)OCc1ccccc1C(F)(F)F
InChIInChI=1S/C19H23F3N2O2/c1-12(2)10-24-14(4)16(13(3)23-24)9-18(25)26-11-15-7-5-6-8-17(15)19(20,21)22/h5-8,12H,9-11H2,1-4H3
InChIKeyVJIJAMYQGUOYPW-UHFFFAOYSA-N
MW368.40 g/mol
LogP4.46
Rot. Bonds6

About [2-(trifluoromethyl)phenyl]methyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate

[2-(trifluoromethyl)phenyl]methyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate (PubChem CID 55425615) has the molecular formula C19H23F3N2O2 and a molecular weight of 368.40 g/mol. Its IUPAC name is [2-(trifluoromethyl)phenyl]methyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate.

Molecular Properties

Compound Name[2-(trifluoromethyl)phenyl]methyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate
PubChem CID55425615
Molecular FormulaC19H23F3N2O2
Molecular Weight368.40 g/mol
Exact Mass368.17
IUPAC Name[2-(trifluoromethyl)phenyl]methyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate
SMILESCc1nn(CC(C)C)c(C)c1CC(=O)OCc1ccccc1C(F)(F)F
InChIInChI=1S/C19H23F3N2O2/c1-12(2)10-24-14(4)16(13(3)23-24)9-18(25)26-11-15-7-5-6-8-17(15)19(20,21)22/h5-8,12H,9-11H2,1-4H3
InChIKeyVJIJAMYQGUOYPW-UHFFFAOYSA-N
XLogP4.46
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(trifluoromethyl)phenyl]methyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate?
The IUPAC name of [2-(trifluoromethyl)phenyl]methyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate (CID 55425615) is [2-(trifluoromethyl)phenyl]methyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate.
What is the SMILES notation for [2-(trifluoromethyl)phenyl]methyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate?
The canonical SMILES for [2-(trifluoromethyl)phenyl]methyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate is Cc1nn(CC(C)C)c(C)c1CC(=O)OCc1ccccc1C(F)(F)F.
What is the InChIKey of [2-(trifluoromethyl)phenyl]methyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate?
The InChIKey is VJIJAMYQGUOYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N2O2/c1-12(2)10-24-14(4)16(13(3)23-24)9-18(25)26-11-15-7-5-6-8-17(15)19(20,21)22/h5-8,12H,9-11H2,1-4H3.
What are the key properties of [2-(trifluoromethyl)phenyl]methyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate?
[2-(trifluoromethyl)phenyl]methyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate has a molecular weight of 368.40 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(trifluoromethyl)phenyl]methyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate is sourced from PubChem (CID 55425615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).