[4-(dimethylamino)phenyl]-[5-hydroxy-3-(4-methylphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone

C20H20F3N3O2 — CID 3142709

IUPAC[4-(dimethylamino)phenyl]-[5-hydroxy-3-(4-methylphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
SMILESCc1ccc(C2=NN(C(=O)c3ccc(N(C)C)cc3)C(O)(C(F)(F)F)C2)cc1
InChIInChI=1S/C20H20F3N3O2/c1-13-4-6-14(7-5-13)17-12-19(28,20(21,22)23)26(24-17)18(27)15-8-10-16(11-9-15)25(2)3/h4-11,28H,12H2,1-3H3
InChIKeyGWVWSTUVKHSLOR-UHFFFAOYSA-N
MW391.39 g/mol
LogP3.56
Rot. Bonds3

About [4-(dimethylamino)phenyl]-[5-hydroxy-3-(4-methylphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone

[4-(dimethylamino)phenyl]-[5-hydroxy-3-(4-methylphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone (PubChem CID 3142709) has the molecular formula C20H20F3N3O2 and a molecular weight of 391.39 g/mol. Its IUPAC name is [4-(dimethylamino)phenyl]-[5-hydroxy-3-(4-methylphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone.

Molecular Properties

Compound Name[4-(dimethylamino)phenyl]-[5-hydroxy-3-(4-methylphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
PubChem CID3142709
Molecular FormulaC20H20F3N3O2
Molecular Weight391.39 g/mol
Exact Mass391.15
IUPAC Name[4-(dimethylamino)phenyl]-[5-hydroxy-3-(4-methylphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
SMILESCc1ccc(C2=NN(C(=O)c3ccc(N(C)C)cc3)C(O)(C(F)(F)F)C2)cc1
InChIInChI=1S/C20H20F3N3O2/c1-13-4-6-14(7-5-13)17-12-19(28,20(21,22)23)26(24-17)18(27)15-8-10-16(11-9-15)25(2)3/h4-11,28H,12H2,1-3H3
InChIKeyGWVWSTUVKHSLOR-UHFFFAOYSA-N
XLogP3.56
TPSA56.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)phenyl]-[5-hydroxy-3-(4-methylphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone?
The IUPAC name of [4-(dimethylamino)phenyl]-[5-hydroxy-3-(4-methylphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone (CID 3142709) is [4-(dimethylamino)phenyl]-[5-hydroxy-3-(4-methylphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone.
What is the SMILES notation for [4-(dimethylamino)phenyl]-[5-hydroxy-3-(4-methylphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone?
The canonical SMILES for [4-(dimethylamino)phenyl]-[5-hydroxy-3-(4-methylphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone is Cc1ccc(C2=NN(C(=O)c3ccc(N(C)C)cc3)C(O)(C(F)(F)F)C2)cc1.
What is the InChIKey of [4-(dimethylamino)phenyl]-[5-hydroxy-3-(4-methylphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone?
The InChIKey is GWVWSTUVKHSLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O2/c1-13-4-6-14(7-5-13)17-12-19(28,20(21,22)23)26(24-17)18(27)15-8-10-16(11-9-15)25(2)3/h4-11,28H,12H2,1-3H3.
What are the key properties of [4-(dimethylamino)phenyl]-[5-hydroxy-3-(4-methylphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone?
[4-(dimethylamino)phenyl]-[5-hydroxy-3-(4-methylphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone has a molecular weight of 391.39 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)phenyl]-[5-hydroxy-3-(4-methylphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone is sourced from PubChem (CID 3142709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).