1-ethyl-4-[2-(2-fluorophenoxy)ethoxy]pyrazole

C13H15FN2O2 — CID 99801206

IUPAC1-ethyl-4-[2-(2-fluorophenoxy)ethoxy]pyrazole
SMILESCCn1cc(OCCOc2ccccc2F)cn1
InChIInChI=1S/C13H15FN2O2/c1-2-16-10-11(9-15-16)17-7-8-18-13-6-4-3-5-12(13)14/h3-6,9-10H,2,7-8H2,1H3
InChIKeyOWTQFCPRZVPMTB-UHFFFAOYSA-N
MW250.27 g/mol
LogP2.50
Rot. Bonds6

About 1-ethyl-4-[2-(2-fluorophenoxy)ethoxy]pyrazole

1-ethyl-4-[2-(2-fluorophenoxy)ethoxy]pyrazole (PubChem CID 99801206) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 1-ethyl-4-[2-(2-fluorophenoxy)ethoxy]pyrazole.

Molecular Properties

Compound Name1-ethyl-4-[2-(2-fluorophenoxy)ethoxy]pyrazole
PubChem CID99801206
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name1-ethyl-4-[2-(2-fluorophenoxy)ethoxy]pyrazole
SMILESCCn1cc(OCCOc2ccccc2F)cn1
InChIInChI=1S/C13H15FN2O2/c1-2-16-10-11(9-15-16)17-7-8-18-13-6-4-3-5-12(13)14/h3-6,9-10H,2,7-8H2,1H3
InChIKeyOWTQFCPRZVPMTB-UHFFFAOYSA-N
XLogP2.50
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[2-(2-fluorophenoxy)ethoxy]pyrazole?
The IUPAC name of 1-ethyl-4-[2-(2-fluorophenoxy)ethoxy]pyrazole (CID 99801206) is 1-ethyl-4-[2-(2-fluorophenoxy)ethoxy]pyrazole.
What is the SMILES notation for 1-ethyl-4-[2-(2-fluorophenoxy)ethoxy]pyrazole?
The canonical SMILES for 1-ethyl-4-[2-(2-fluorophenoxy)ethoxy]pyrazole is CCn1cc(OCCOc2ccccc2F)cn1.
What is the InChIKey of 1-ethyl-4-[2-(2-fluorophenoxy)ethoxy]pyrazole?
The InChIKey is OWTQFCPRZVPMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-2-16-10-11(9-15-16)17-7-8-18-13-6-4-3-5-12(13)14/h3-6,9-10H,2,7-8H2,1H3.
What are the key properties of 1-ethyl-4-[2-(2-fluorophenoxy)ethoxy]pyrazole?
1-ethyl-4-[2-(2-fluorophenoxy)ethoxy]pyrazole has a molecular weight of 250.27 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[2-(2-fluorophenoxy)ethoxy]pyrazole is sourced from PubChem (CID 99801206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).