N-[1-(2,5-dichlorophenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]-3-fluorobenzamide

C23H16Cl2FN3O2 — CID 46087918

IUPACN-[1-(2,5-dichlorophenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]-3-fluorobenzamide
SMILESCOc1ccc(-c2cc(NC(=O)c3cccc(F)c3)n(-c3cc(Cl)ccc3Cl)n2)cc1
InChIInChI=1S/C23H16Cl2FN3O2/c1-31-18-8-5-14(6-9-18)20-13-22(27-23(30)15-3-2-4-17(26)11-15)29(28-20)21-12-16(24)7-10-19(21)25/h2-13H,1H3,(H,27,30)
InChIKeyJUOHQXRCEYWXHB-UHFFFAOYSA-N
MW456.30 g/mol
LogP6.25
Rot. Bonds5

About N-[1-(2,5-dichlorophenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]-3-fluorobenzamide

N-[1-(2,5-dichlorophenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]-3-fluorobenzamide (PubChem CID 46087918) has the molecular formula C23H16Cl2FN3O2 and a molecular weight of 456.30 g/mol. Its IUPAC name is N-[1-(2,5-dichlorophenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[1-(2,5-dichlorophenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]-3-fluorobenzamide
PubChem CID46087918
Molecular FormulaC23H16Cl2FN3O2
Molecular Weight456.30 g/mol
Exact Mass455.06
IUPAC NameN-[1-(2,5-dichlorophenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]-3-fluorobenzamide
SMILESCOc1ccc(-c2cc(NC(=O)c3cccc(F)c3)n(-c3cc(Cl)ccc3Cl)n2)cc1
InChIInChI=1S/C23H16Cl2FN3O2/c1-31-18-8-5-14(6-9-18)20-13-22(27-23(30)15-3-2-4-17(26)11-15)29(28-20)21-12-16(24)7-10-19(21)25/h2-13H,1H3,(H,27,30)
InChIKeyJUOHQXRCEYWXHB-UHFFFAOYSA-N
XLogP6.25
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.30
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrazolo[3,4-d]pyrimidin-4-one deriv. 19l
CID 135402961
4-methoxy-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide
CID 2352142
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
1-(4-methoxybenzoyl)-3-methyl-N-phenyl-1H-pyrazol-5-amine
CID 867969
N-(1,3-diphenyl-1H-pyrazol-5-yl)-4-(trifluoromethoxy)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
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-4-methoxybenzamide
CID 2352192
1-(2,4,6-Trichlorophenyl)-3-isopropyl-6-(4-methoxybenzyl)pyrazolo[3,4-d]pyrimidin-4-one
CID 135401208

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dichlorophenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]-3-fluorobenzamide?
The IUPAC name of N-[1-(2,5-dichlorophenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]-3-fluorobenzamide (CID 46087918) is N-[1-(2,5-dichlorophenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]-3-fluorobenzamide.
What is the SMILES notation for N-[1-(2,5-dichlorophenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]-3-fluorobenzamide?
The canonical SMILES for N-[1-(2,5-dichlorophenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]-3-fluorobenzamide is COc1ccc(-c2cc(NC(=O)c3cccc(F)c3)n(-c3cc(Cl)ccc3Cl)n2)cc1.
What is the InChIKey of N-[1-(2,5-dichlorophenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]-3-fluorobenzamide?
The InChIKey is JUOHQXRCEYWXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2FN3O2/c1-31-18-8-5-14(6-9-18)20-13-22(27-23(30)15-3-2-4-17(26)11-15)29(28-20)21-12-16(24)7-10-19(21)25/h2-13H,1H3,(H,27,30).
What are the key properties of N-[1-(2,5-dichlorophenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]-3-fluorobenzamide?
N-[1-(2,5-dichlorophenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]-3-fluorobenzamide has a molecular weight of 456.30 g/mol, XLogP of 6.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dichlorophenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]-3-fluorobenzamide is sourced from PubChem (CID 46087918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).