5-(1,1-difluoroethyl)-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine

C20H19F4N3O2 — CID 118430584

IUPAC5-(1,1-difluoroethyl)-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine
SMILESCc1c(Oc2c(F)cccc2F)c(OC(C)C)nn1-c1ccc(C(C)(F)F)cn1
InChIInChI=1S/C20H19F4N3O2/c1-11(2)28-19-17(29-18-14(21)6-5-7-15(18)22)12(3)27(26-19)16-9-8-13(10-25-16)20(4,23)24/h5-11H,1-4H3
InChIKeyBBERJDYZHUGPLR-UHFFFAOYSA-N
MW409.38 g/mol
LogP5.55
Rot. Bonds6

About 5-(1,1-difluoroethyl)-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine

5-(1,1-difluoroethyl)-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine (PubChem CID 118430584) has the molecular formula C20H19F4N3O2 and a molecular weight of 409.38 g/mol. Its IUPAC name is 5-(1,1-difluoroethyl)-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine.

Molecular Properties

Compound Name5-(1,1-difluoroethyl)-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine
PubChem CID118430584
Molecular FormulaC20H19F4N3O2
Molecular Weight409.38 g/mol
Exact Mass409.14
IUPAC Name5-(1,1-difluoroethyl)-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine
SMILESCc1c(Oc2c(F)cccc2F)c(OC(C)C)nn1-c1ccc(C(C)(F)F)cn1
InChIInChI=1S/C20H19F4N3O2/c1-11(2)28-19-17(29-18-14(21)6-5-7-15(18)22)12(3)27(26-19)16-9-8-13(10-25-16)20(4,23)24/h5-11H,1-4H3
InChIKeyBBERJDYZHUGPLR-UHFFFAOYSA-N
XLogP5.55
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.38
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoroethyl)-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine?
The IUPAC name of 5-(1,1-difluoroethyl)-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine (CID 118430584) is 5-(1,1-difluoroethyl)-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine.
What is the SMILES notation for 5-(1,1-difluoroethyl)-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine?
The canonical SMILES for 5-(1,1-difluoroethyl)-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine is Cc1c(Oc2c(F)cccc2F)c(OC(C)C)nn1-c1ccc(C(C)(F)F)cn1.
What is the InChIKey of 5-(1,1-difluoroethyl)-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine?
The InChIKey is BBERJDYZHUGPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F4N3O2/c1-11(2)28-19-17(29-18-14(21)6-5-7-15(18)22)12(3)27(26-19)16-9-8-13(10-25-16)20(4,23)24/h5-11H,1-4H3.
What are the key properties of 5-(1,1-difluoroethyl)-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine?
5-(1,1-difluoroethyl)-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine has a molecular weight of 409.38 g/mol, XLogP of 5.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoroethyl)-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine is sourced from PubChem (CID 118430584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).