4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-hydroxyphenyl)benzamide

C23H15ClF3N3O2 — CID 59633021

IUPAC4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-hydroxyphenyl)benzamide
SMILESO=C(Nc1cccc(O)c1)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1
InChIInChI=1S/C23H15ClF3N3O2/c24-18-6-1-2-7-19(18)30-20(13-21(29-30)23(25,26)27)14-8-10-15(11-9-14)22(32)28-16-4-3-5-17(31)12-16/h1-13,31H,(H,28,32)
InChIKeyDPOSGNFOSHSEBJ-UHFFFAOYSA-N
MW457.84 g/mol
LogP6.17
Rot. Bonds4

About 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-hydroxyphenyl)benzamide

4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-hydroxyphenyl)benzamide (PubChem CID 59633021) has the molecular formula C23H15ClF3N3O2 and a molecular weight of 457.84 g/mol. Its IUPAC name is 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-hydroxyphenyl)benzamide.

Molecular Properties

Compound Name4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-hydroxyphenyl)benzamide
PubChem CID59633021
Molecular FormulaC23H15ClF3N3O2
Molecular Weight457.84 g/mol
Exact Mass457.08
IUPAC Name4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-hydroxyphenyl)benzamide
SMILESO=C(Nc1cccc(O)c1)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1
InChIInChI=1S/C23H15ClF3N3O2/c24-18-6-1-2-7-19(18)30-20(13-21(29-30)23(25,26)27)14-8-10-15(11-9-14)22(32)28-16-4-3-5-17(31)12-16/h1-13,31H,(H,28,32)
InChIKeyDPOSGNFOSHSEBJ-UHFFFAOYSA-N
XLogP6.17
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.84
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-hydroxyphenyl)benzamide?
The IUPAC name of 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-hydroxyphenyl)benzamide (CID 59633021) is 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-hydroxyphenyl)benzamide.
What is the SMILES notation for 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-hydroxyphenyl)benzamide?
The canonical SMILES for 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-hydroxyphenyl)benzamide is O=C(Nc1cccc(O)c1)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1.
What is the InChIKey of 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-hydroxyphenyl)benzamide?
The InChIKey is DPOSGNFOSHSEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClF3N3O2/c24-18-6-1-2-7-19(18)30-20(13-21(29-30)23(25,26)27)14-8-10-15(11-9-14)22(32)28-16-4-3-5-17(31)12-16/h1-13,31H,(H,28,32).
What are the key properties of 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-hydroxyphenyl)benzamide?
4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-hydroxyphenyl)benzamide has a molecular weight of 457.84 g/mol, XLogP of 6.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-hydroxyphenyl)benzamide is sourced from PubChem (CID 59633021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).