3-(4-fluorophenyl)-5-(2-phenylmethoxyethyl)-1H-pyrazole

C18H17FN2O — CID 67439036

IUPAC3-(4-fluorophenyl)-5-(2-phenylmethoxyethyl)-1H-pyrazole
SMILESFc1ccc(-c2cc(CCOCc3ccccc3)[nH]n2)cc1
InChIInChI=1S/C18H17FN2O/c19-16-8-6-15(7-9-16)18-12-17(20-21-18)10-11-22-13-14-4-2-1-3-5-14/h1-9,12H,10-11,13H2,(H,20,21)
InChIKeyLAKOGJKQUYWSGE-UHFFFAOYSA-N
MW296.35 g/mol
LogP3.98
Rot. Bonds6

About 3-(4-fluorophenyl)-5-(2-phenylmethoxyethyl)-1H-pyrazole

3-(4-fluorophenyl)-5-(2-phenylmethoxyethyl)-1H-pyrazole (PubChem CID 67439036) has the molecular formula C18H17FN2O and a molecular weight of 296.35 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-(2-phenylmethoxyethyl)-1H-pyrazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-(2-phenylmethoxyethyl)-1H-pyrazole
PubChem CID67439036
Molecular FormulaC18H17FN2O
Molecular Weight296.35 g/mol
Exact Mass296.13
IUPAC Name3-(4-fluorophenyl)-5-(2-phenylmethoxyethyl)-1H-pyrazole
SMILESFc1ccc(-c2cc(CCOCc3ccccc3)[nH]n2)cc1
InChIInChI=1S/C18H17FN2O/c19-16-8-6-15(7-9-16)18-12-17(20-21-18)10-11-22-13-14-4-2-1-3-5-14/h1-9,12H,10-11,13H2,(H,20,21)
InChIKeyLAKOGJKQUYWSGE-UHFFFAOYSA-N
XLogP3.98
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-(4-fluorophenyl)-5-(2-phenylmethoxyethyl)-1H-pyrazole?
The IUPAC name of 3-(4-fluorophenyl)-5-(2-phenylmethoxyethyl)-1H-pyrazole (CID 67439036) is 3-(4-fluorophenyl)-5-(2-phenylmethoxyethyl)-1H-pyrazole.
What is the SMILES notation for 3-(4-fluorophenyl)-5-(2-phenylmethoxyethyl)-1H-pyrazole?
The canonical SMILES for 3-(4-fluorophenyl)-5-(2-phenylmethoxyethyl)-1H-pyrazole is Fc1ccc(-c2cc(CCOCc3ccccc3)[nH]n2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-5-(2-phenylmethoxyethyl)-1H-pyrazole?
The InChIKey is LAKOGJKQUYWSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O/c19-16-8-6-15(7-9-16)18-12-17(20-21-18)10-11-22-13-14-4-2-1-3-5-14/h1-9,12H,10-11,13H2,(H,20,21).
What are the key properties of 3-(4-fluorophenyl)-5-(2-phenylmethoxyethyl)-1H-pyrazole?
3-(4-fluorophenyl)-5-(2-phenylmethoxyethyl)-1H-pyrazole has a molecular weight of 296.35 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-(2-phenylmethoxyethyl)-1H-pyrazole is sourced from PubChem (CID 67439036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).