2-[1-(2,2-diethoxyethyl)pyrazol-4-yl]-5-fluoropyridine

C14H18FN3O2 — CID 118020409

IUPAC2-[1-(2,2-diethoxyethyl)pyrazol-4-yl]-5-fluoropyridine
SMILESCCOC(Cn1cc(-c2ccc(F)cn2)cn1)OCC
InChIInChI=1S/C14H18FN3O2/c1-3-19-14(20-4-2)10-18-9-11(7-17-18)13-6-5-12(15)8-16-13/h5-9,14H,3-4,10H2,1-2H3
InChIKeyBFGWZEWNZANIOA-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.48
Rot. Bonds7

About 2-[1-(2,2-diethoxyethyl)pyrazol-4-yl]-5-fluoropyridine

2-[1-(2,2-diethoxyethyl)pyrazol-4-yl]-5-fluoropyridine (PubChem CID 118020409) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is 2-[1-(2,2-diethoxyethyl)pyrazol-4-yl]-5-fluoropyridine.

Molecular Properties

Compound Name2-[1-(2,2-diethoxyethyl)pyrazol-4-yl]-5-fluoropyridine
PubChem CID118020409
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC Name2-[1-(2,2-diethoxyethyl)pyrazol-4-yl]-5-fluoropyridine
SMILESCCOC(Cn1cc(-c2ccc(F)cn2)cn1)OCC
InChIInChI=1S/C14H18FN3O2/c1-3-19-14(20-4-2)10-18-9-11(7-17-18)13-6-5-12(15)8-16-13/h5-9,14H,3-4,10H2,1-2H3
InChIKeyBFGWZEWNZANIOA-UHFFFAOYSA-N
XLogP2.48
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-diethoxyethyl)pyrazol-4-yl]-5-fluoropyridine?
The IUPAC name of 2-[1-(2,2-diethoxyethyl)pyrazol-4-yl]-5-fluoropyridine (CID 118020409) is 2-[1-(2,2-diethoxyethyl)pyrazol-4-yl]-5-fluoropyridine.
What is the SMILES notation for 2-[1-(2,2-diethoxyethyl)pyrazol-4-yl]-5-fluoropyridine?
The canonical SMILES for 2-[1-(2,2-diethoxyethyl)pyrazol-4-yl]-5-fluoropyridine is CCOC(Cn1cc(-c2ccc(F)cn2)cn1)OCC.
What is the InChIKey of 2-[1-(2,2-diethoxyethyl)pyrazol-4-yl]-5-fluoropyridine?
The InChIKey is BFGWZEWNZANIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c1-3-19-14(20-4-2)10-18-9-11(7-17-18)13-6-5-12(15)8-16-13/h5-9,14H,3-4,10H2,1-2H3.
What are the key properties of 2-[1-(2,2-diethoxyethyl)pyrazol-4-yl]-5-fluoropyridine?
2-[1-(2,2-diethoxyethyl)pyrazol-4-yl]-5-fluoropyridine has a molecular weight of 279.31 g/mol, XLogP of 2.48, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-diethoxyethyl)pyrazol-4-yl]-5-fluoropyridine is sourced from PubChem (CID 118020409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).