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

C19H19F2N3O3 — CID 118430568

IUPAC5-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-2-methoxypyridine
SMILESCOc1ccc(-n2nc(OC(C)C)c(Oc3c(F)cccc3F)c2C)cn1
InChIInChI=1S/C19H19F2N3O3/c1-11(2)26-19-17(27-18-14(20)6-5-7-15(18)21)12(3)24(23-19)13-8-9-16(25-4)22-10-13/h5-11H,1-4H3
InChIKeyVSGDXAGRZCZXQL-UHFFFAOYSA-N
MW375.38 g/mol
LogP4.44
Rot. Bonds6

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

5-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-2-methoxypyridine (PubChem CID 118430568) has the molecular formula C19H19F2N3O3 and a molecular weight of 375.38 g/mol. Its IUPAC name is 5-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-2-methoxypyridine.

Molecular Properties

Compound Name5-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-2-methoxypyridine
PubChem CID118430568
Molecular FormulaC19H19F2N3O3
Molecular Weight375.38 g/mol
Exact Mass375.14
IUPAC Name5-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-2-methoxypyridine
SMILESCOc1ccc(-n2nc(OC(C)C)c(Oc3c(F)cccc3F)c2C)cn1
InChIInChI=1S/C19H19F2N3O3/c1-11(2)26-19-17(27-18-14(20)6-5-7-15(18)21)12(3)24(23-19)13-8-9-16(25-4)22-10-13/h5-11H,1-4H3
InChIKeyVSGDXAGRZCZXQL-UHFFFAOYSA-N
XLogP4.44
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-2-methoxypyridine?
The IUPAC name of 5-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-2-methoxypyridine (CID 118430568) is 5-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-2-methoxypyridine.
What is the SMILES notation for 5-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-2-methoxypyridine?
The canonical SMILES for 5-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-2-methoxypyridine is COc1ccc(-n2nc(OC(C)C)c(Oc3c(F)cccc3F)c2C)cn1.
What is the InChIKey of 5-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-2-methoxypyridine?
The InChIKey is VSGDXAGRZCZXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O3/c1-11(2)26-19-17(27-18-14(20)6-5-7-15(18)21)12(3)24(23-19)13-8-9-16(25-4)22-10-13/h5-11H,1-4H3.
What are the key properties of 5-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-2-methoxypyridine?
5-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-2-methoxypyridine has a molecular weight of 375.38 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-2-methoxypyridine is sourced from PubChem (CID 118430568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).