5-[4-fluoro-2-(2-methoxyethoxy)phenyl]-1H-pyrazole

C12H13FN2O2 — CID 22031289

IUPAC5-[4-fluoro-2-(2-methoxyethoxy)phenyl]-1H-pyrazole
SMILESCOCCOc1cc(F)ccc1-c1ccn[nH]1
InChIInChI=1S/C12H13FN2O2/c1-16-6-7-17-12-8-9(13)2-3-10(12)11-4-5-14-15-11/h2-5,8H,6-7H2,1H3,(H,14,15)
InChIKeyPVLSLKPSKBAVAP-UHFFFAOYSA-N
MW236.25 g/mol
LogP2.24
Rot. Bonds5

About 5-[4-fluoro-2-(2-methoxyethoxy)phenyl]-1H-pyrazole

5-[4-fluoro-2-(2-methoxyethoxy)phenyl]-1H-pyrazole (PubChem CID 22031289) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is 5-[4-fluoro-2-(2-methoxyethoxy)phenyl]-1H-pyrazole.

Molecular Properties

Compound Name5-[4-fluoro-2-(2-methoxyethoxy)phenyl]-1H-pyrazole
PubChem CID22031289
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC Name5-[4-fluoro-2-(2-methoxyethoxy)phenyl]-1H-pyrazole
SMILESCOCCOc1cc(F)ccc1-c1ccn[nH]1
InChIInChI=1S/C12H13FN2O2/c1-16-6-7-17-12-8-9(13)2-3-10(12)11-4-5-14-15-11/h2-5,8H,6-7H2,1H3,(H,14,15)
InChIKeyPVLSLKPSKBAVAP-UHFFFAOYSA-N
XLogP2.24
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 5-[4-fluoro-2-(2-methoxyethoxy)phenyl]-1H-pyrazole?
The IUPAC name of 5-[4-fluoro-2-(2-methoxyethoxy)phenyl]-1H-pyrazole (CID 22031289) is 5-[4-fluoro-2-(2-methoxyethoxy)phenyl]-1H-pyrazole.
What is the SMILES notation for 5-[4-fluoro-2-(2-methoxyethoxy)phenyl]-1H-pyrazole?
The canonical SMILES for 5-[4-fluoro-2-(2-methoxyethoxy)phenyl]-1H-pyrazole is COCCOc1cc(F)ccc1-c1ccn[nH]1.
What is the InChIKey of 5-[4-fluoro-2-(2-methoxyethoxy)phenyl]-1H-pyrazole?
The InChIKey is PVLSLKPSKBAVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2/c1-16-6-7-17-12-8-9(13)2-3-10(12)11-4-5-14-15-11/h2-5,8H,6-7H2,1H3,(H,14,15).
What are the key properties of 5-[4-fluoro-2-(2-methoxyethoxy)phenyl]-1H-pyrazole?
5-[4-fluoro-2-(2-methoxyethoxy)phenyl]-1H-pyrazole has a molecular weight of 236.25 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-fluoro-2-(2-methoxyethoxy)phenyl]-1H-pyrazole is sourced from PubChem (CID 22031289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).