1-(2,5-difluorophenyl)ethyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate

C19H24F2N2O2 — CID 55909252

IUPAC1-(2,5-difluorophenyl)ethyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate
SMILESCc1nn(CC(C)C)c(C)c1CC(=O)OC(C)c1cc(F)ccc1F
InChIInChI=1S/C19H24F2N2O2/c1-11(2)10-23-13(4)16(12(3)22-23)9-19(24)25-14(5)17-8-15(20)6-7-18(17)21/h6-8,11,14H,9-10H2,1-5H3
InChIKeyACSVKDKZYRQWBO-UHFFFAOYSA-N
MW350.41 g/mol
LogP4.28
Rot. Bonds6

About 1-(2,5-difluorophenyl)ethyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate

1-(2,5-difluorophenyl)ethyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate (PubChem CID 55909252) has the molecular formula C19H24F2N2O2 and a molecular weight of 350.41 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)ethyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)ethyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate
PubChem CID55909252
Molecular FormulaC19H24F2N2O2
Molecular Weight350.41 g/mol
Exact Mass350.18
IUPAC Name1-(2,5-difluorophenyl)ethyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate
SMILESCc1nn(CC(C)C)c(C)c1CC(=O)OC(C)c1cc(F)ccc1F
InChIInChI=1S/C19H24F2N2O2/c1-11(2)10-23-13(4)16(12(3)22-23)9-19(24)25-14(5)17-8-15(20)6-7-18(17)21/h6-8,11,14H,9-10H2,1-5H3
InChIKeyACSVKDKZYRQWBO-UHFFFAOYSA-N
XLogP4.28
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)ethyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate?
The IUPAC name of 1-(2,5-difluorophenyl)ethyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate (CID 55909252) is 1-(2,5-difluorophenyl)ethyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate.
What is the SMILES notation for 1-(2,5-difluorophenyl)ethyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate?
The canonical SMILES for 1-(2,5-difluorophenyl)ethyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate is Cc1nn(CC(C)C)c(C)c1CC(=O)OC(C)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)ethyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate?
The InChIKey is ACSVKDKZYRQWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N2O2/c1-11(2)10-23-13(4)16(12(3)22-23)9-19(24)25-14(5)17-8-15(20)6-7-18(17)21/h6-8,11,14H,9-10H2,1-5H3.
What are the key properties of 1-(2,5-difluorophenyl)ethyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate?
1-(2,5-difluorophenyl)ethyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate has a molecular weight of 350.41 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)ethyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate is sourced from PubChem (CID 55909252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).