N-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide

C24H16ClF4N3O2 — CID 46088030

IUPACN-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide
SMILESCOc1ccc(-n2nc(-c3ccc(Cl)cc3)cc2NC(=O)c2cc(F)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C24H16ClF4N3O2/c1-34-20-8-6-19(7-9-20)32-22(13-21(31-32)14-2-4-17(25)5-3-14)30-23(33)15-10-16(24(27,28)29)12-18(26)11-15/h2-13H,1H3,(H,30,33)
InChIKeyCIIYKNVMNDNMDH-UHFFFAOYSA-N
MW489.86 g/mol
LogP6.61
Rot. Bonds5

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

N-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide (PubChem CID 46088030) has the molecular formula C24H16ClF4N3O2 and a molecular weight of 489.86 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide
PubChem CID46088030
Molecular FormulaC24H16ClF4N3O2
Molecular Weight489.86 g/mol
Exact Mass489.09
IUPAC NameN-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide
SMILESCOc1ccc(-n2nc(-c3ccc(Cl)cc3)cc2NC(=O)c2cc(F)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C24H16ClF4N3O2/c1-34-20-8-6-19(7-9-20)32-22(13-21(31-32)14-2-4-17(25)5-3-14)30-23(33)15-10-16(24(27,28)29)12-18(26)11-15/h2-13H,1H3,(H,30,33)
InChIKeyCIIYKNVMNDNMDH-UHFFFAOYSA-N
XLogP6.61
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.86
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-diphenyl-1H-pyrazol-5-yl)-3-methoxybenzamide
CID 11710424
N-[1-(3-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]-4-methoxybenzamide
CID 1507263
4-trifluoromethoxy-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 11647509
N-(1,3-diphenyl-1H-pyrazol-5-yl)-4-methoxybenzamide
CID 11667813
N-(1-(3-methoxyphenyl)-3-phenyl-1H-pyrazol-3-yl)benzamide
CID 11696353
N-(1-phenyl-3-(3-methoxyphenyl)-1H-pyrazol-3-yl)benzamide
CID 11717640
N-(1-(2-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl)-4-methoxybenzamide
CID 24981327
5-(4-chlorophenyl)-N-(4-methoxyphenyl)-1-(6-methoxypyridazin-3-yl)pyrazole-3-carboxamide
CID 71697666
N,5-bis(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazole-3-carboxamide
CID 71697667
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-4-methoxybenzamide
CID 2352192
N-[1-(4-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]-3-(1-methyl-1H-pyrazol-3-yl)-4-(trifluoromethoxy)benzamide
CID 129192666
4-methoxy-N-[3-(3-methylphenyl)-1-phenyl-1H-pyrazol-5-yl]benzamide
CID 16030763

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide (CID 46088030) is N-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide is COc1ccc(-n2nc(-c3ccc(Cl)cc3)cc2NC(=O)c2cc(F)cc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide?
The InChIKey is CIIYKNVMNDNMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClF4N3O2/c1-34-20-8-6-19(7-9-20)32-22(13-21(31-32)14-2-4-17(25)5-3-14)30-23(33)15-10-16(24(27,28)29)12-18(26)11-15/h2-13H,1H3,(H,30,33).
What are the key properties of N-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide?
N-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide has a molecular weight of 489.86 g/mol, XLogP of 6.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 46088030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).