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

C19H15ClF3N3O2 — CID 46188578

IUPACN-(2-chlorophenyl)-2-methoxy-4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]benzamide
SMILESCOc1cc(-n2nc(C)cc2C(F)(F)F)ccc1C(=O)Nc1ccccc1Cl
InChIInChI=1S/C19H15ClF3N3O2/c1-11-9-17(19(21,22)23)26(25-11)12-7-8-13(16(10-12)28-2)18(27)24-15-6-4-3-5-14(15)20/h3-10H,1-2H3,(H,24,27)
InChIKeyMHTVEHYHMNCEJD-UHFFFAOYSA-N
MW409.80 g/mol
LogP5.11
Rot. Bonds4

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

N-(2-chlorophenyl)-2-methoxy-4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]benzamide (PubChem CID 46188578) has the molecular formula C19H15ClF3N3O2 and a molecular weight of 409.80 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-methoxy-4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]benzamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-methoxy-4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]benzamide
PubChem CID46188578
Molecular FormulaC19H15ClF3N3O2
Molecular Weight409.80 g/mol
Exact Mass409.08
IUPAC NameN-(2-chlorophenyl)-2-methoxy-4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]benzamide
SMILESCOc1cc(-n2nc(C)cc2C(F)(F)F)ccc1C(=O)Nc1ccccc1Cl
InChIInChI=1S/C19H15ClF3N3O2/c1-11-9-17(19(21,22)23)26(25-11)12-7-8-13(16(10-12)28-2)18(27)24-15-6-4-3-5-14(15)20/h3-10H,1-2H3,(H,24,27)
InChIKeyMHTVEHYHMNCEJD-UHFFFAOYSA-N
XLogP5.11
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.80
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

WO2022070069, Example 1
CID 163200383
WO2022070069, Example 3
CID 163200385
WO2022070069, Example 2
CID 163200384
2-methoxy-N-{4-[1-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]phenyl}benzamide
CID 1509888
3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-[2-oxo-4-(trifluoromethyl)-2H-chromen-7-yl]benzamide
CID 19579847
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-methoxybenzamide
CID 10296231
N-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-2-methoxybenzamide
CID 21105215
2-Acetoxy-N-{4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl)-5-chlorobenzamide
CID 23069936
2-Acetoxy-N-{3-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl}-5-chlorobenzamide
CID 23069943
2-Acetoxy-N-{4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl}-4-chlorobenzamide
CID 23069973
N-(4-chlorophenyl)-3-methoxy-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 46188403
N-(2-chlorophenyl)-3-methoxy-4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 46188577

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-methoxy-4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]benzamide?
The IUPAC name of N-(2-chlorophenyl)-2-methoxy-4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]benzamide (CID 46188578) is N-(2-chlorophenyl)-2-methoxy-4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]benzamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-methoxy-4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]benzamide?
The canonical SMILES for N-(2-chlorophenyl)-2-methoxy-4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]benzamide is COc1cc(-n2nc(C)cc2C(F)(F)F)ccc1C(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-methoxy-4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]benzamide?
The InChIKey is MHTVEHYHMNCEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3N3O2/c1-11-9-17(19(21,22)23)26(25-11)12-7-8-13(16(10-12)28-2)18(27)24-15-6-4-3-5-14(15)20/h3-10H,1-2H3,(H,24,27).
What are the key properties of N-(2-chlorophenyl)-2-methoxy-4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]benzamide?
N-(2-chlorophenyl)-2-methoxy-4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]benzamide has a molecular weight of 409.80 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-methoxy-4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]benzamide is sourced from PubChem (CID 46188578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).