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

C19H19F2N3O2 — CID 118430605

IUPAC5-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-2-methylpyridine
SMILESCc1ccc(-n2nc(OC(C)C)c(Oc3c(F)cccc3F)c2C)cn1
InChIInChI=1S/C19H19F2N3O2/c1-11(2)25-19-17(26-18-15(20)6-5-7-16(18)21)13(4)24(23-19)14-9-8-12(3)22-10-14/h5-11H,1-4H3
InChIKeyWTRCVCGWSKLSMV-UHFFFAOYSA-N
MW359.38 g/mol
LogP4.74
Rot. Bonds5

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

5-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-2-methylpyridine (PubChem CID 118430605) has the molecular formula C19H19F2N3O2 and a molecular weight of 359.38 g/mol. Its IUPAC name is 5-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-2-methylpyridine.

Molecular Properties

Compound Name5-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-2-methylpyridine
PubChem CID118430605
Molecular FormulaC19H19F2N3O2
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Name5-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-2-methylpyridine
SMILESCc1ccc(-n2nc(OC(C)C)c(Oc3c(F)cccc3F)c2C)cn1
InChIInChI=1S/C19H19F2N3O2/c1-11(2)25-19-17(26-18-15(20)6-5-7-16(18)21)13(4)24(23-19)14-9-8-12(3)22-10-14/h5-11H,1-4H3
InChIKeyWTRCVCGWSKLSMV-UHFFFAOYSA-N
XLogP4.74
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-[4-(2-Methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine
CID 25072633
2-(4-(2,6-difluorophenoxy)-5-methyl-3-(propan-2-yloxy)-1H-pyrazol-1-yl)pyrimidine
CID 118430649
US10071988, Example 4
CID 130309370
US10071988, Example 8
CID 130309373
US10071988, Example 395
CID 130309691
US10071988, Example 396
CID 130309692
US10071988, Example 561
CID 130309831
2-Cyclopropyl-5-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyrimidine
CID 118430411
2-[4-(2,6-Difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-3-fluoro-5-propylpyridine
CID 118430417
2-[4-(2,6-Difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-ethylpyridine
CID 118430450
2-[4-(2,6-Difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-methoxypyrazine
CID 118430477
2-[4-(2,6-Difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-ethyl-3-fluoropyridine
CID 118430545

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-2-methylpyridine?
The IUPAC name of 5-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-2-methylpyridine (CID 118430605) is 5-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-2-methylpyridine.
What is the SMILES notation for 5-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-2-methylpyridine?
The canonical SMILES for 5-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-2-methylpyridine is Cc1ccc(-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-methylpyridine?
The InChIKey is WTRCVCGWSKLSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O2/c1-11(2)25-19-17(26-18-15(20)6-5-7-16(18)21)13(4)24(23-19)14-9-8-12(3)22-10-14/h5-11H,1-4H3.
What are the key properties of 5-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-2-methylpyridine?
5-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-2-methylpyridine has a molecular weight of 359.38 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 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-methylpyridine is sourced from PubChem (CID 118430605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).