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

C20H19F3N4O2 — CID 122181308

IUPAC3-cyclopropyl-6-[3-ethoxy-5-methyl-4-[4-(trifluoromethyl)phenoxy]pyrazol-1-yl]pyridazine
SMILESCCOc1nn(-c2ccc(C3CC3)nn2)c(C)c1Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H19F3N4O2/c1-3-28-19-18(29-15-8-6-14(7-9-15)20(21,22)23)12(2)27(26-19)17-11-10-16(24-25-17)13-4-5-13/h6-11,13H,3-5H2,1-2H3
InChIKeyQWFGWWFRKZDRSG-UHFFFAOYSA-N
MW404.39 g/mol
LogP5.06
Rot. Bonds6

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

3-cyclopropyl-6-[3-ethoxy-5-methyl-4-[4-(trifluoromethyl)phenoxy]pyrazol-1-yl]pyridazine (PubChem CID 122181308) 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-[4-(trifluoromethyl)phenoxy]pyrazol-1-yl]pyridazine.

Molecular Properties

Compound Name3-cyclopropyl-6-[3-ethoxy-5-methyl-4-[4-(trifluoromethyl)phenoxy]pyrazol-1-yl]pyridazine
PubChem CID122181308
Molecular FormulaC20H19F3N4O2
Molecular Weight404.39 g/mol
Exact Mass404.15
IUPAC Name3-cyclopropyl-6-[3-ethoxy-5-methyl-4-[4-(trifluoromethyl)phenoxy]pyrazol-1-yl]pyridazine
SMILESCCOc1nn(-c2ccc(C3CC3)nn2)c(C)c1Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H19F3N4O2/c1-3-28-19-18(29-15-8-6-14(7-9-15)20(21,22)23)12(2)27(26-19)17-11-10-16(24-25-17)13-4-5-13/h6-11,13H,3-5H2,1-2H3
InChIKeyQWFGWWFRKZDRSG-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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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-[3-ethoxy-5-methyl-4-[4-(trifluoromethyl)phenoxy]pyrazol-1-yl]pyridazine?
The IUPAC name of 3-cyclopropyl-6-[3-ethoxy-5-methyl-4-[4-(trifluoromethyl)phenoxy]pyrazol-1-yl]pyridazine (CID 122181308) is 3-cyclopropyl-6-[3-ethoxy-5-methyl-4-[4-(trifluoromethyl)phenoxy]pyrazol-1-yl]pyridazine.
What is the SMILES notation for 3-cyclopropyl-6-[3-ethoxy-5-methyl-4-[4-(trifluoromethyl)phenoxy]pyrazol-1-yl]pyridazine?
The canonical SMILES for 3-cyclopropyl-6-[3-ethoxy-5-methyl-4-[4-(trifluoromethyl)phenoxy]pyrazol-1-yl]pyridazine is CCOc1nn(-c2ccc(C3CC3)nn2)c(C)c1Oc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-cyclopropyl-6-[3-ethoxy-5-methyl-4-[4-(trifluoromethyl)phenoxy]pyrazol-1-yl]pyridazine?
The InChIKey is QWFGWWFRKZDRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O2/c1-3-28-19-18(29-15-8-6-14(7-9-15)20(21,22)23)12(2)27(26-19)17-11-10-16(24-25-17)13-4-5-13/h6-11,13H,3-5H2,1-2H3.
What are the key properties of 3-cyclopropyl-6-[3-ethoxy-5-methyl-4-[4-(trifluoromethyl)phenoxy]pyrazol-1-yl]pyridazine?
3-cyclopropyl-6-[3-ethoxy-5-methyl-4-[4-(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-[4-(trifluoromethyl)phenoxy]pyrazol-1-yl]pyridazine is sourced from PubChem (CID 122181308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).