2-[2-(dimethylamino)ethyl]-4-[4-(4-fluorophenyl)phenyl]-1H-pyrazol-5-one

C19H20FN3O — CID 11174760

IUPAC2-[2-(dimethylamino)ethyl]-4-[4-(4-fluorophenyl)phenyl]-1H-pyrazol-5-one
SMILESCN(C)CCn1cc(-c2ccc(-c3ccc(F)cc3)cc2)c(=O)[nH]1
InChIInChI=1S/C19H20FN3O/c1-22(2)11-12-23-13-18(19(24)21-23)16-5-3-14(4-6-16)15-7-9-17(20)10-8-15/h3-10,13H,11-12H2,1-2H3,(H,21,24)
InChIKeyLKEWBZGYOVCWGT-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.21
Rot. Bonds5

About 2-[2-(dimethylamino)ethyl]-4-[4-(4-fluorophenyl)phenyl]-1H-pyrazol-5-one

2-[2-(dimethylamino)ethyl]-4-[4-(4-fluorophenyl)phenyl]-1H-pyrazol-5-one (PubChem CID 11174760) has the molecular formula C19H20FN3O and a molecular weight of 325.39 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-4-[4-(4-fluorophenyl)phenyl]-1H-pyrazol-5-one.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-4-[4-(4-fluorophenyl)phenyl]-1H-pyrazol-5-one
PubChem CID11174760
Molecular FormulaC19H20FN3O
Molecular Weight325.39 g/mol
Exact Mass325.16
IUPAC Name2-[2-(dimethylamino)ethyl]-4-[4-(4-fluorophenyl)phenyl]-1H-pyrazol-5-one
SMILESCN(C)CCn1cc(-c2ccc(-c3ccc(F)cc3)cc2)c(=O)[nH]1
InChIInChI=1S/C19H20FN3O/c1-22(2)11-12-23-13-18(19(24)21-23)16-5-3-14(4-6-16)15-7-9-17(20)10-8-15/h3-10,13H,11-12H2,1-2H3,(H,21,24)
InChIKeyLKEWBZGYOVCWGT-UHFFFAOYSA-N
XLogP3.21
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-4-[4-(4-fluorophenyl)phenyl]-1H-pyrazol-5-one?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-4-[4-(4-fluorophenyl)phenyl]-1H-pyrazol-5-one (CID 11174760) is 2-[2-(dimethylamino)ethyl]-4-[4-(4-fluorophenyl)phenyl]-1H-pyrazol-5-one.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-4-[4-(4-fluorophenyl)phenyl]-1H-pyrazol-5-one?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-4-[4-(4-fluorophenyl)phenyl]-1H-pyrazol-5-one is CN(C)CCn1cc(-c2ccc(-c3ccc(F)cc3)cc2)c(=O)[nH]1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-4-[4-(4-fluorophenyl)phenyl]-1H-pyrazol-5-one?
The InChIKey is LKEWBZGYOVCWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O/c1-22(2)11-12-23-13-18(19(24)21-23)16-5-3-14(4-6-16)15-7-9-17(20)10-8-15/h3-10,13H,11-12H2,1-2H3,(H,21,24).
What are the key properties of 2-[2-(dimethylamino)ethyl]-4-[4-(4-fluorophenyl)phenyl]-1H-pyrazol-5-one?
2-[2-(dimethylamino)ethyl]-4-[4-(4-fluorophenyl)phenyl]-1H-pyrazol-5-one has a molecular weight of 325.39 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-4-[4-(4-fluorophenyl)phenyl]-1H-pyrazol-5-one is sourced from PubChem (CID 11174760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).