2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-3-fluoropyridine

C18H18FN3O — CID 118430610

IUPAC2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-3-fluoropyridine
SMILESCCOc1nn(-c2ncccc2F)c(C)c1Cc1ccccc1
InChIInChI=1S/C18H18FN3O/c1-3-23-18-15(12-14-8-5-4-6-9-14)13(2)22(21-18)17-16(19)10-7-11-20-17/h4-11H,3,12H2,1-2H3
InChIKeyMXQNUCWCWUKIHC-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.70
Rot. Bonds5

About 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-3-fluoropyridine

2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-3-fluoropyridine (PubChem CID 118430610) has the molecular formula C18H18FN3O and a molecular weight of 311.36 g/mol. Its IUPAC name is 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-3-fluoropyridine.

Molecular Properties

Compound Name2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-3-fluoropyridine
PubChem CID118430610
Molecular FormulaC18H18FN3O
Molecular Weight311.36 g/mol
Exact Mass311.14
IUPAC Name2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-3-fluoropyridine
SMILESCCOc1nn(-c2ncccc2F)c(C)c1Cc1ccccc1
InChIInChI=1S/C18H18FN3O/c1-3-23-18-15(12-14-8-5-4-6-9-14)13(2)22(21-18)17-16(19)10-7-11-20-17/h4-11H,3,12H2,1-2H3
InChIKeyMXQNUCWCWUKIHC-UHFFFAOYSA-N
XLogP3.70
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-3-fluoropyridine?
The IUPAC name of 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-3-fluoropyridine (CID 118430610) is 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-3-fluoropyridine.
What is the SMILES notation for 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-3-fluoropyridine?
The canonical SMILES for 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-3-fluoropyridine is CCOc1nn(-c2ncccc2F)c(C)c1Cc1ccccc1.
What is the InChIKey of 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-3-fluoropyridine?
The InChIKey is MXQNUCWCWUKIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O/c1-3-23-18-15(12-14-8-5-4-6-9-14)13(2)22(21-18)17-16(19)10-7-11-20-17/h4-11H,3,12H2,1-2H3.
What are the key properties of 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-3-fluoropyridine?
2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-3-fluoropyridine has a molecular weight of 311.36 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-3-fluoropyridine is sourced from PubChem (CID 118430610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).