4-(4-ethyl-3-fluorophenyl)-1-[[(2R)-oxolan-2-yl]methyl]pyrazole

C16H19FN2O — CID 130252731

IUPAC4-(4-ethyl-3-fluorophenyl)-1-[[(2R)-oxolan-2-yl]methyl]pyrazole
SMILESCCc1ccc(-c2cnn(C[C@H]3CCCO3)c2)cc1F
InChIInChI=1S/C16H19FN2O/c1-2-12-5-6-13(8-16(12)17)14-9-18-19(10-14)11-15-4-3-7-20-15/h5-6,8-10,15H,2-4,7,11H2,1H3/t15-/m1/s1
InChIKeyLYRUYNYGCITJEL-OAHLLOKOSA-N
MW274.34 g/mol
LogP3.43
Rot. Bonds4

About 4-(4-ethyl-3-fluorophenyl)-1-[[(2R)-oxolan-2-yl]methyl]pyrazole

4-(4-ethyl-3-fluorophenyl)-1-[[(2R)-oxolan-2-yl]methyl]pyrazole (PubChem CID 130252731) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is 4-(4-ethyl-3-fluorophenyl)-1-[[(2R)-oxolan-2-yl]methyl]pyrazole.

Molecular Properties

Compound Name4-(4-ethyl-3-fluorophenyl)-1-[[(2R)-oxolan-2-yl]methyl]pyrazole
PubChem CID130252731
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name4-(4-ethyl-3-fluorophenyl)-1-[[(2R)-oxolan-2-yl]methyl]pyrazole
SMILESCCc1ccc(-c2cnn(C[C@H]3CCCO3)c2)cc1F
InChIInChI=1S/C16H19FN2O/c1-2-12-5-6-13(8-16(12)17)14-9-18-19(10-14)11-15-4-3-7-20-15/h5-6,8-10,15H,2-4,7,11H2,1H3/t15-/m1/s1
InChIKeyLYRUYNYGCITJEL-OAHLLOKOSA-N
XLogP3.43
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-3-fluorophenyl)-1-[[(2R)-oxolan-2-yl]methyl]pyrazole?
The IUPAC name of 4-(4-ethyl-3-fluorophenyl)-1-[[(2R)-oxolan-2-yl]methyl]pyrazole (CID 130252731) is 4-(4-ethyl-3-fluorophenyl)-1-[[(2R)-oxolan-2-yl]methyl]pyrazole.
What is the SMILES notation for 4-(4-ethyl-3-fluorophenyl)-1-[[(2R)-oxolan-2-yl]methyl]pyrazole?
The canonical SMILES for 4-(4-ethyl-3-fluorophenyl)-1-[[(2R)-oxolan-2-yl]methyl]pyrazole is CCc1ccc(-c2cnn(C[C@H]3CCCO3)c2)cc1F.
What is the InChIKey of 4-(4-ethyl-3-fluorophenyl)-1-[[(2R)-oxolan-2-yl]methyl]pyrazole?
The InChIKey is LYRUYNYGCITJEL-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-2-12-5-6-13(8-16(12)17)14-9-18-19(10-14)11-15-4-3-7-20-15/h5-6,8-10,15H,2-4,7,11H2,1H3/t15-/m1/s1.
What are the key properties of 4-(4-ethyl-3-fluorophenyl)-1-[[(2R)-oxolan-2-yl]methyl]pyrazole?
4-(4-ethyl-3-fluorophenyl)-1-[[(2R)-oxolan-2-yl]methyl]pyrazole has a molecular weight of 274.34 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-3-fluorophenyl)-1-[[(2R)-oxolan-2-yl]methyl]pyrazole is sourced from PubChem (CID 130252731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).