(2-fluorophenyl)methyl 4-pyrazol-1-ylbenzoate

C17H13FN2O2 — CID 5298156

IUPAC(2-fluorophenyl)methyl 4-pyrazol-1-ylbenzoate
SMILESO=C(OCc1ccccc1F)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C17H13FN2O2/c18-16-5-2-1-4-14(16)12-22-17(21)13-6-8-15(9-7-13)20-11-3-10-19-20/h1-11H,12H2
InChIKeyRRTXRUQNUFKHAM-UHFFFAOYSA-N
MW296.30 g/mol
LogP3.37
Rot. Bonds4

About (2-fluorophenyl)methyl 4-pyrazol-1-ylbenzoate

(2-fluorophenyl)methyl 4-pyrazol-1-ylbenzoate (PubChem CID 5298156) has the molecular formula C17H13FN2O2 and a molecular weight of 296.30 g/mol. Its IUPAC name is (2-fluorophenyl)methyl 4-pyrazol-1-ylbenzoate.

Molecular Properties

Compound Name(2-fluorophenyl)methyl 4-pyrazol-1-ylbenzoate
PubChem CID5298156
Molecular FormulaC17H13FN2O2
Molecular Weight296.30 g/mol
Exact Mass296.10
IUPAC Name(2-fluorophenyl)methyl 4-pyrazol-1-ylbenzoate
SMILESO=C(OCc1ccccc1F)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C17H13FN2O2/c18-16-5-2-1-4-14(16)12-22-17(21)13-6-8-15(9-7-13)20-11-3-10-19-20/h1-11H,12H2
InChIKeyRRTXRUQNUFKHAM-UHFFFAOYSA-N
XLogP3.37
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl 4-pyrazol-1-ylbenzoate?
The IUPAC name of (2-fluorophenyl)methyl 4-pyrazol-1-ylbenzoate (CID 5298156) is (2-fluorophenyl)methyl 4-pyrazol-1-ylbenzoate.
What is the SMILES notation for (2-fluorophenyl)methyl 4-pyrazol-1-ylbenzoate?
The canonical SMILES for (2-fluorophenyl)methyl 4-pyrazol-1-ylbenzoate is O=C(OCc1ccccc1F)c1ccc(-n2cccn2)cc1.
What is the InChIKey of (2-fluorophenyl)methyl 4-pyrazol-1-ylbenzoate?
The InChIKey is RRTXRUQNUFKHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2/c18-16-5-2-1-4-14(16)12-22-17(21)13-6-8-15(9-7-13)20-11-3-10-19-20/h1-11H,12H2.
What are the key properties of (2-fluorophenyl)methyl 4-pyrazol-1-ylbenzoate?
(2-fluorophenyl)methyl 4-pyrazol-1-ylbenzoate has a molecular weight of 296.30 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl 4-pyrazol-1-ylbenzoate is sourced from PubChem (CID 5298156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).