4-chloro-N-[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide

C18H13ClF3N3O2 — CID 146433214

IUPAC4-chloro-N-[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide
SMILESCn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2ccc(Cl)cc2)cc1O
InChIInChI=1S/C18H13ClF3N3O2/c1-25-14(9-16(24-25)18(20,21)22)13-7-6-12(8-15(13)26)23-17(27)10-2-4-11(19)5-3-10/h2-9,26H,1H3,(H,23,27)
InChIKeyWCSIVIGBOXSXRQ-UHFFFAOYSA-N
MW395.77 g/mol
LogP4.72
Rot. Bonds3

About 4-chloro-N-[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide

4-chloro-N-[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide (PubChem CID 146433214) has the molecular formula C18H13ClF3N3O2 and a molecular weight of 395.77 g/mol. Its IUPAC name is 4-chloro-N-[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide
PubChem CID146433214
Molecular FormulaC18H13ClF3N3O2
Molecular Weight395.77 g/mol
Exact Mass395.06
IUPAC Name4-chloro-N-[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide
SMILESCn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2ccc(Cl)cc2)cc1O
InChIInChI=1S/C18H13ClF3N3O2/c1-25-14(9-16(24-25)18(20,21)22)13-7-6-12(8-15(13)26)23-17(27)10-2-4-11(19)5-3-10/h2-9,26H,1H3,(H,23,27)
InChIKeyWCSIVIGBOXSXRQ-UHFFFAOYSA-N
XLogP4.72
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.77
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methylphenyl)-5-(2-hydroxyphenyl)-1H-pyrazole-3-carboxamide
CID 2040201
3-chloro-N-[(4-chlorophenyl)methyl]-N-[3-hydroxy-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 155402404
N-[3-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-5-chloro-2-hydroxybenzamide
CID 11744452
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-chloro-2-hydroxybenzamide
CID 53775919
4-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]-N-(3-hydroxy-2-methylphenyl)benzamide
CID 59631888
N-(2-chloro-3-hydroxy-4-methylphenyl)-4-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzamide
CID 59631972
N-(2-chloro-5-hydroxyphenyl)-4-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzamide
CID 59632536
4-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]-N-[(4-hydroxy-3-methylphenyl)methyl]benzamide
CID 59632553
4-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]-N-(3-hydroxyphenyl)benzamide
CID 59633021
2-chloro-N-(2-hydroxy-4-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)phenyl)benzamide
CID 67468347
2-chloro-N-[3-methoxy-4-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]benzamide
CID 68210879
Benzamide,5-chloro-2-hydroxy-n-[3-[5-phenyl-3-(trifluoromethyl)-1h-pyrazol-1-yl]phenyl]-
CID 68578374

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide?
The IUPAC name of 4-chloro-N-[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide (CID 146433214) is 4-chloro-N-[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide is Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2ccc(Cl)cc2)cc1O.
What is the InChIKey of 4-chloro-N-[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide?
The InChIKey is WCSIVIGBOXSXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF3N3O2/c1-25-14(9-16(24-25)18(20,21)22)13-7-6-12(8-15(13)26)23-17(27)10-2-4-11(19)5-3-10/h2-9,26H,1H3,(H,23,27).
What are the key properties of 4-chloro-N-[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide?
4-chloro-N-[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide has a molecular weight of 395.77 g/mol, XLogP of 4.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide is sourced from PubChem (CID 146433214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).