3-cyclopropyl-6-[3-ethoxy-4-(2-fluorophenoxy)-5-methylpyrazol-1-yl]pyridazine

C19H19FN4O2 — CID 122181303

IUPAC3-cyclopropyl-6-[3-ethoxy-4-(2-fluorophenoxy)-5-methylpyrazol-1-yl]pyridazine
SMILESCCOc1nn(-c2ccc(C3CC3)nn2)c(C)c1Oc1ccccc1F
InChIInChI=1S/C19H19FN4O2/c1-3-25-19-18(26-16-7-5-4-6-14(16)20)12(2)24(23-19)17-11-10-15(21-22-17)13-8-9-13/h4-7,10-11,13H,3,8-9H2,1-2H3
InChIKeyJXKBVRAQQHCEKM-UHFFFAOYSA-N
MW354.39 g/mol
LogP4.18
Rot. Bonds6

About 3-cyclopropyl-6-[3-ethoxy-4-(2-fluorophenoxy)-5-methylpyrazol-1-yl]pyridazine

3-cyclopropyl-6-[3-ethoxy-4-(2-fluorophenoxy)-5-methylpyrazol-1-yl]pyridazine (PubChem CID 122181303) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is 3-cyclopropyl-6-[3-ethoxy-4-(2-fluorophenoxy)-5-methylpyrazol-1-yl]pyridazine.

Molecular Properties

Compound Name3-cyclopropyl-6-[3-ethoxy-4-(2-fluorophenoxy)-5-methylpyrazol-1-yl]pyridazine
PubChem CID122181303
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC Name3-cyclopropyl-6-[3-ethoxy-4-(2-fluorophenoxy)-5-methylpyrazol-1-yl]pyridazine
SMILESCCOc1nn(-c2ccc(C3CC3)nn2)c(C)c1Oc1ccccc1F
InChIInChI=1S/C19H19FN4O2/c1-3-25-19-18(26-16-7-5-4-6-14(16)20)12(2)24(23-19)17-11-10-15(21-22-17)13-8-9-13/h4-7,10-11,13H,3,8-9H2,1-2H3
InChIKeyJXKBVRAQQHCEKM-UHFFFAOYSA-N
XLogP4.18
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 54.18
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-4-(2-fluorophenoxy)-5-methylpyrazol-1-yl]pyridazine?
The IUPAC name of 3-cyclopropyl-6-[3-ethoxy-4-(2-fluorophenoxy)-5-methylpyrazol-1-yl]pyridazine (CID 122181303) is 3-cyclopropyl-6-[3-ethoxy-4-(2-fluorophenoxy)-5-methylpyrazol-1-yl]pyridazine.
What is the SMILES notation for 3-cyclopropyl-6-[3-ethoxy-4-(2-fluorophenoxy)-5-methylpyrazol-1-yl]pyridazine?
The canonical SMILES for 3-cyclopropyl-6-[3-ethoxy-4-(2-fluorophenoxy)-5-methylpyrazol-1-yl]pyridazine is CCOc1nn(-c2ccc(C3CC3)nn2)c(C)c1Oc1ccccc1F.
What is the InChIKey of 3-cyclopropyl-6-[3-ethoxy-4-(2-fluorophenoxy)-5-methylpyrazol-1-yl]pyridazine?
The InChIKey is JXKBVRAQQHCEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c1-3-25-19-18(26-16-7-5-4-6-14(16)20)12(2)24(23-19)17-11-10-15(21-22-17)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-4-(2-fluorophenoxy)-5-methylpyrazol-1-yl]pyridazine?
3-cyclopropyl-6-[3-ethoxy-4-(2-fluorophenoxy)-5-methylpyrazol-1-yl]pyridazine has a molecular weight of 354.39 g/mol, XLogP of 4.18, 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-4-(2-fluorophenoxy)-5-methylpyrazol-1-yl]pyridazine is sourced from PubChem (CID 122181303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).