3-cyclopropyl-6-[3-ethoxy-5-methyl-4-[2-(trifluoromethyl)phenoxy]pyrazol-1-yl]pyridazine

C20H19F3N4O2 — CID 122181306

IUPAC3-cyclopropyl-6-[3-ethoxy-5-methyl-4-[2-(trifluoromethyl)phenoxy]pyrazol-1-yl]pyridazine
SMILESCCOc1nn(-c2ccc(C3CC3)nn2)c(C)c1Oc1ccccc1C(F)(F)F
InChIInChI=1S/C20H19F3N4O2/c1-3-28-19-18(29-16-7-5-4-6-14(16)20(21,22)23)12(2)27(26-19)17-11-10-15(24-25-17)13-8-9-13/h4-7,10-11,13H,3,8-9H2,1-2H3
InChIKeyQHQBMMZCZZJHTR-UHFFFAOYSA-N
MW404.39 g/mol
LogP5.06
Rot. Bonds6

About 3-cyclopropyl-6-[3-ethoxy-5-methyl-4-[2-(trifluoromethyl)phenoxy]pyrazol-1-yl]pyridazine

3-cyclopropyl-6-[3-ethoxy-5-methyl-4-[2-(trifluoromethyl)phenoxy]pyrazol-1-yl]pyridazine (PubChem CID 122181306) has the molecular formula C20H19F3N4O2 and a molecular weight of 404.39 g/mol. Its IUPAC name is 3-cyclopropyl-6-[3-ethoxy-5-methyl-4-[2-(trifluoromethyl)phenoxy]pyrazol-1-yl]pyridazine.

Molecular Properties

Compound Name3-cyclopropyl-6-[3-ethoxy-5-methyl-4-[2-(trifluoromethyl)phenoxy]pyrazol-1-yl]pyridazine
PubChem CID122181306
Molecular FormulaC20H19F3N4O2
Molecular Weight404.39 g/mol
Exact Mass404.15
IUPAC Name3-cyclopropyl-6-[3-ethoxy-5-methyl-4-[2-(trifluoromethyl)phenoxy]pyrazol-1-yl]pyridazine
SMILESCCOc1nn(-c2ccc(C3CC3)nn2)c(C)c1Oc1ccccc1C(F)(F)F
InChIInChI=1S/C20H19F3N4O2/c1-3-28-19-18(29-16-7-5-4-6-14(16)20(21,22)23)12(2)27(26-19)17-11-10-15(24-25-17)13-8-9-13/h4-7,10-11,13H,3,8-9H2,1-2H3
InChIKeyQHQBMMZCZZJHTR-UHFFFAOYSA-N
XLogP5.06
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.39
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Dhodh-IN-1
CID 118430456
3-[4-(2,6-Difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-6-methylpyridazine
CID 118430657
3-Cyclopropyl-6-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridazine
CID 118430682
Ipp/cnrs-A019
CID 118430525
5-Cyclopropyl-2-[3-ethoxy-5-methyl-4-[3-(trifluoromethyl)phenoxy]pyrazol-1-yl]pyridine
CID 118430405
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
5-Cyclopropyl-2-[4-(2,4-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine
CID 118430451
5-Cyclopropyl-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-3-methoxypyridine
CID 118430459
5-Cyclopropyl-2-[3-ethoxy-5-methyl-4-[4-(trifluoromethyl)phenoxy]pyrazol-1-yl]pyridine
CID 118430462
5-Cyclopropyl-2-[3-ethoxy-4-(2-fluorophenoxy)-5-methylpyrazol-1-yl]pyridine
CID 118430493
5-Cyclopropyl-2-[4-(3-fluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine
CID 118430548

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-[3-ethoxy-5-methyl-4-[2-(trifluoromethyl)phenoxy]pyrazol-1-yl]pyridazine?
The IUPAC name of 3-cyclopropyl-6-[3-ethoxy-5-methyl-4-[2-(trifluoromethyl)phenoxy]pyrazol-1-yl]pyridazine (CID 122181306) is 3-cyclopropyl-6-[3-ethoxy-5-methyl-4-[2-(trifluoromethyl)phenoxy]pyrazol-1-yl]pyridazine.
What is the SMILES notation for 3-cyclopropyl-6-[3-ethoxy-5-methyl-4-[2-(trifluoromethyl)phenoxy]pyrazol-1-yl]pyridazine?
The canonical SMILES for 3-cyclopropyl-6-[3-ethoxy-5-methyl-4-[2-(trifluoromethyl)phenoxy]pyrazol-1-yl]pyridazine is CCOc1nn(-c2ccc(C3CC3)nn2)c(C)c1Oc1ccccc1C(F)(F)F.
What is the InChIKey of 3-cyclopropyl-6-[3-ethoxy-5-methyl-4-[2-(trifluoromethyl)phenoxy]pyrazol-1-yl]pyridazine?
The InChIKey is QHQBMMZCZZJHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O2/c1-3-28-19-18(29-16-7-5-4-6-14(16)20(21,22)23)12(2)27(26-19)17-11-10-15(24-25-17)13-8-9-13/h4-7,10-11,13H,3,8-9H2,1-2H3.
What are the key properties of 3-cyclopropyl-6-[3-ethoxy-5-methyl-4-[2-(trifluoromethyl)phenoxy]pyrazol-1-yl]pyridazine?
3-cyclopropyl-6-[3-ethoxy-5-methyl-4-[2-(trifluoromethyl)phenoxy]pyrazol-1-yl]pyridazine has a molecular weight of 404.39 g/mol, XLogP of 5.06, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-[3-ethoxy-5-methyl-4-[2-(trifluoromethyl)phenoxy]pyrazol-1-yl]pyridazine is sourced from PubChem (CID 122181306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).