[1-(4-chlorophenyl)-4-hydroxypyrazol-3-yl]-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]methanone

C20H12ClF3N4O2 — CID 54613586

IUPAC[1-(4-chlorophenyl)-4-hydroxypyrazol-3-yl]-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]methanone
SMILESO=C(c1nn(-c2ccc(Cl)cc2)cc1O)n1nc(C(F)(F)F)cc1-c1ccccc1
InChIInChI=1S/C20H12ClF3N4O2/c21-13-6-8-14(9-7-13)27-11-16(29)18(26-27)19(30)28-15(12-4-2-1-3-5-12)10-17(25-28)20(22,23)24/h1-11,29H
InChIKeyAGYQWFQUAYIERA-UHFFFAOYSA-N
MW432.79 g/mol
LogP4.80
Rot. Bonds3

About [1-(4-chlorophenyl)-4-hydroxypyrazol-3-yl]-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]methanone

[1-(4-chlorophenyl)-4-hydroxypyrazol-3-yl]-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]methanone (PubChem CID 54613586) has the molecular formula C20H12ClF3N4O2 and a molecular weight of 432.79 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-4-hydroxypyrazol-3-yl]-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-4-hydroxypyrazol-3-yl]-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]methanone
PubChem CID54613586
Molecular FormulaC20H12ClF3N4O2
Molecular Weight432.79 g/mol
Exact Mass432.06
IUPAC Name[1-(4-chlorophenyl)-4-hydroxypyrazol-3-yl]-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]methanone
SMILESO=C(c1nn(-c2ccc(Cl)cc2)cc1O)n1nc(C(F)(F)F)cc1-c1ccccc1
InChIInChI=1S/C20H12ClF3N4O2/c21-13-6-8-14(9-7-13)27-11-16(29)18(26-27)19(30)28-15(12-4-2-1-3-5-12)10-17(25-28)20(22,23)24/h1-11,29H
InChIKeyAGYQWFQUAYIERA-UHFFFAOYSA-N
XLogP4.80
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.79
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-4-hydroxypyrazol-3-yl]-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]methanone?
The IUPAC name of [1-(4-chlorophenyl)-4-hydroxypyrazol-3-yl]-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]methanone (CID 54613586) is [1-(4-chlorophenyl)-4-hydroxypyrazol-3-yl]-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]methanone.
What is the SMILES notation for [1-(4-chlorophenyl)-4-hydroxypyrazol-3-yl]-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]methanone?
The canonical SMILES for [1-(4-chlorophenyl)-4-hydroxypyrazol-3-yl]-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]methanone is O=C(c1nn(-c2ccc(Cl)cc2)cc1O)n1nc(C(F)(F)F)cc1-c1ccccc1.
What is the InChIKey of [1-(4-chlorophenyl)-4-hydroxypyrazol-3-yl]-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]methanone?
The InChIKey is AGYQWFQUAYIERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClF3N4O2/c21-13-6-8-14(9-7-13)27-11-16(29)18(26-27)19(30)28-15(12-4-2-1-3-5-12)10-17(25-28)20(22,23)24/h1-11,29H.
What are the key properties of [1-(4-chlorophenyl)-4-hydroxypyrazol-3-yl]-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]methanone?
[1-(4-chlorophenyl)-4-hydroxypyrazol-3-yl]-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]methanone has a molecular weight of 432.79 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)-4-hydroxypyrazol-3-yl]-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]methanone is sourced from PubChem (CID 54613586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).