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

C23H14Cl2F3N3O2 — CID 59632024

IUPACN-(3-chloro-4-hydroxyphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide
SMILESO=C(Nc1ccc(O)c(Cl)c1)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1
InChIInChI=1S/C23H14Cl2F3N3O2/c24-16-3-1-2-4-18(16)31-19(12-21(30-31)23(26,27)28)13-5-7-14(8-6-13)22(33)29-15-9-10-20(32)17(25)11-15/h1-12,32H,(H,29,33)
InChIKeyLXAZGUOAMXTIMR-UHFFFAOYSA-N
MW492.28 g/mol
LogP6.82
Rot. Bonds4

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

N-(3-chloro-4-hydroxyphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide (PubChem CID 59632024) has the molecular formula C23H14Cl2F3N3O2 and a molecular weight of 492.28 g/mol. Its IUPAC name is N-(3-chloro-4-hydroxyphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-hydroxyphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide
PubChem CID59632024
Molecular FormulaC23H14Cl2F3N3O2
Molecular Weight492.28 g/mol
Exact Mass491.04
IUPAC NameN-(3-chloro-4-hydroxyphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide
SMILESO=C(Nc1ccc(O)c(Cl)c1)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1
InChIInChI=1S/C23H14Cl2F3N3O2/c24-16-3-1-2-4-18(16)31-19(12-21(30-31)23(26,27)28)13-5-7-14(8-6-13)22(33)29-15-9-10-20(32)17(25)11-15/h1-12,32H,(H,29,33)
InChIKeyLXAZGUOAMXTIMR-UHFFFAOYSA-N
XLogP6.82
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.28
LogP ≤ 56.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(4-hydroxyphenyl)-4-methylpyrazole-3-carboxamide
CID 70685551
N-[(2-chlorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-(4-hydroxyphenyl)pyrazol-3-yl]propanamide
CID 56603454
[4-[2-(2-Chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 59631655
4-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]-N-(4-methoxy-2-methylphenyl)benzamide
CID 59631671
3-[[4-[2-(2-Chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzoyl]amino]-4-hydroxybenzoic acid
CID 59631686
4-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]-N-[5-(hydroxymethyl)-2-methylphenyl]benzamide
CID 59631763
N-benzyl-4-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]-N-(4-hydroxyphenyl)benzamide
CID 59631837
4-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]-N-(4-propan-2-yloxyphenyl)benzamide
CID 59631838
5-[[4-[2-(2-Chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzoyl]amino]-2-hydroxybenzoic acid
CID 59631884
4-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]-N-(3-hydroxy-2-methylphenyl)benzamide
CID 59631888
4-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 59631893
4-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzamide
CID 59631895

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-hydroxyphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide?
The IUPAC name of N-(3-chloro-4-hydroxyphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide (CID 59632024) is N-(3-chloro-4-hydroxyphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide.
What is the SMILES notation for N-(3-chloro-4-hydroxyphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide?
The canonical SMILES for N-(3-chloro-4-hydroxyphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide is O=C(Nc1ccc(O)c(Cl)c1)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1.
What is the InChIKey of N-(3-chloro-4-hydroxyphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide?
The InChIKey is LXAZGUOAMXTIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14Cl2F3N3O2/c24-16-3-1-2-4-18(16)31-19(12-21(30-31)23(26,27)28)13-5-7-14(8-6-13)22(33)29-15-9-10-20(32)17(25)11-15/h1-12,32H,(H,29,33).
What are the key properties of N-(3-chloro-4-hydroxyphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide?
N-(3-chloro-4-hydroxyphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide has a molecular weight of 492.28 g/mol, XLogP of 6.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-hydroxyphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide is sourced from PubChem (CID 59632024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).