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

C20H20FN3O2 — CID 118430493

IUPAC5-cyclopropyl-2-[3-ethoxy-4-(2-fluorophenoxy)-5-methylpyrazol-1-yl]pyridine
SMILESCCOc1nn(-c2ccc(C3CC3)cn2)c(C)c1Oc1ccccc1F
InChIInChI=1S/C20H20FN3O2/c1-3-25-20-19(26-17-7-5-4-6-16(17)21)13(2)24(23-20)18-11-10-15(12-22-18)14-8-9-14/h4-7,10-12,14H,3,8-9H2,1-2H3
InChIKeyJTWFDJVNXFMUKR-UHFFFAOYSA-N
MW353.40 g/mol
LogP4.78
Rot. Bonds6

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

5-cyclopropyl-2-[3-ethoxy-4-(2-fluorophenoxy)-5-methylpyrazol-1-yl]pyridine (PubChem CID 118430493) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is 5-cyclopropyl-2-[3-ethoxy-4-(2-fluorophenoxy)-5-methylpyrazol-1-yl]pyridine.

Molecular Properties

Compound Name5-cyclopropyl-2-[3-ethoxy-4-(2-fluorophenoxy)-5-methylpyrazol-1-yl]pyridine
PubChem CID118430493
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name5-cyclopropyl-2-[3-ethoxy-4-(2-fluorophenoxy)-5-methylpyrazol-1-yl]pyridine
SMILESCCOc1nn(-c2ccc(C3CC3)cn2)c(C)c1Oc1ccccc1F
InChIInChI=1S/C20H20FN3O2/c1-3-25-20-19(26-17-7-5-4-6-16(17)21)13(2)24(23-20)18-11-10-15(12-22-18)14-8-9-14/h4-7,10-12,14H,3,8-9H2,1-2H3
InChIKeyJTWFDJVNXFMUKR-UHFFFAOYSA-N
XLogP4.78
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[3-ethoxy-4-(2-fluorophenoxy)-5-methylpyrazol-1-yl]pyridine?
The IUPAC name of 5-cyclopropyl-2-[3-ethoxy-4-(2-fluorophenoxy)-5-methylpyrazol-1-yl]pyridine (CID 118430493) is 5-cyclopropyl-2-[3-ethoxy-4-(2-fluorophenoxy)-5-methylpyrazol-1-yl]pyridine.
What is the SMILES notation for 5-cyclopropyl-2-[3-ethoxy-4-(2-fluorophenoxy)-5-methylpyrazol-1-yl]pyridine?
The canonical SMILES for 5-cyclopropyl-2-[3-ethoxy-4-(2-fluorophenoxy)-5-methylpyrazol-1-yl]pyridine is CCOc1nn(-c2ccc(C3CC3)cn2)c(C)c1Oc1ccccc1F.
What is the InChIKey of 5-cyclopropyl-2-[3-ethoxy-4-(2-fluorophenoxy)-5-methylpyrazol-1-yl]pyridine?
The InChIKey is JTWFDJVNXFMUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-3-25-20-19(26-17-7-5-4-6-16(17)21)13(2)24(23-20)18-11-10-15(12-22-18)14-8-9-14/h4-7,10-12,14H,3,8-9H2,1-2H3.
What are the key properties of 5-cyclopropyl-2-[3-ethoxy-4-(2-fluorophenoxy)-5-methylpyrazol-1-yl]pyridine?
5-cyclopropyl-2-[3-ethoxy-4-(2-fluorophenoxy)-5-methylpyrazol-1-yl]pyridine has a molecular weight of 353.40 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-[3-ethoxy-4-(2-fluorophenoxy)-5-methylpyrazol-1-yl]pyridine is sourced from PubChem (CID 118430493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).