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

C20H21F2N3O2 — CID 118430658

IUPAC5-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-2-ethylpyridine
SMILESCCc1ccc(-n2nc(OC(C)C)c(Oc3c(F)cccc3F)c2C)cn1
InChIInChI=1S/C20H21F2N3O2/c1-5-14-9-10-15(11-23-14)25-13(4)18(20(24-25)26-12(2)3)27-19-16(21)7-6-8-17(19)22/h6-12H,5H2,1-4H3
InChIKeyCKNMQVWAJGPIEP-UHFFFAOYSA-N
MW373.40 g/mol
LogP5.00
Rot. Bonds6

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

5-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-2-ethylpyridine (PubChem CID 118430658) has the molecular formula C20H21F2N3O2 and a molecular weight of 373.40 g/mol. Its IUPAC name is 5-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-2-ethylpyridine.

Molecular Properties

Compound Name5-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-2-ethylpyridine
PubChem CID118430658
Molecular FormulaC20H21F2N3O2
Molecular Weight373.40 g/mol
Exact Mass373.16
IUPAC Name5-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-2-ethylpyridine
SMILESCCc1ccc(-n2nc(OC(C)C)c(Oc3c(F)cccc3F)c2C)cn1
InChIInChI=1S/C20H21F2N3O2/c1-5-14-9-10-15(11-23-14)25-13(4)18(20(24-25)26-12(2)3)27-19-16(21)7-6-8-17(19)22/h6-12H,5H2,1-4H3
InChIKeyCKNMQVWAJGPIEP-UHFFFAOYSA-N
XLogP5.00
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 25072633
CID 25072633
CID 24936042
CID 24936042
CID 118430649
CID 118430649
CID 118430411
CID 118430411
CID 118430417
CID 118430417
CID 118430450
CID 118430450
CID 118430451
CID 118430451
CID 118430477
CID 118430477
CID 118430545
CID 118430545
CID 118430549
CID 118430549
CID 118430554
CID 118430554
CID 118430558
CID 118430558

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-2-ethylpyridine?
The IUPAC name of 5-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-2-ethylpyridine (CID 118430658) is 5-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-2-ethylpyridine.
What is the SMILES notation for 5-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-2-ethylpyridine?
The canonical SMILES for 5-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-2-ethylpyridine is CCc1ccc(-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-ethylpyridine?
The InChIKey is CKNMQVWAJGPIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O2/c1-5-14-9-10-15(11-23-14)25-13(4)18(20(24-25)26-12(2)3)27-19-16(21)7-6-8-17(19)22/h6-12H,5H2,1-4H3.
What are the key properties of 5-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-2-ethylpyridine?
5-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-2-ethylpyridine has a molecular weight of 373.40 g/mol, XLogP of 5.00, 6 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-ethylpyridine is sourced from PubChem (CID 118430658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).