N-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]-4-fluorobenzamide

C23H17ClFN3O2 — CID 24720476

IUPACN-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]-4-fluorobenzamide
SMILESCOc1ccc(-n2nc(-c3ccc(Cl)cc3)cc2NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H17ClFN3O2/c1-30-20-12-10-19(11-13-20)28-22(26-23(29)16-4-8-18(25)9-5-16)14-21(27-28)15-2-6-17(24)7-3-15/h2-14H,1H3,(H,26,29)
InChIKeyPGIHJRKSBJSWSL-UHFFFAOYSA-N
MW421.86 g/mol
LogP5.59
Rot. Bonds5

About N-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]-4-fluorobenzamide

N-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]-4-fluorobenzamide (PubChem CID 24720476) has the molecular formula C23H17ClFN3O2 and a molecular weight of 421.86 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]-4-fluorobenzamide
PubChem CID24720476
Molecular FormulaC23H17ClFN3O2
Molecular Weight421.86 g/mol
Exact Mass421.10
IUPAC NameN-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]-4-fluorobenzamide
SMILESCOc1ccc(-n2nc(-c3ccc(Cl)cc3)cc2NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H17ClFN3O2/c1-30-20-12-10-19(11-13-20)28-22(26-23(29)16-4-8-18(25)9-5-16)14-21(27-28)15-2-6-17(24)7-3-15/h2-14H,1H3,(H,26,29)
InChIKeyPGIHJRKSBJSWSL-UHFFFAOYSA-N
XLogP5.59
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.86
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-fluorobenzyl)-3-methyl-1H-pyrazol-5-yl]-3-methoxybenzamide
CID 1509647
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-[(5-chloro-2-phenylmethoxyphenyl)methyl]-5-methylpyrazol-3-yl]-2,6-difluorobenzamide
CID 44448326
N-[1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-5-methylpyrazol-3-yl]benzamide
CID 44448347
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
2-(2-chlorophenoxy)-N-[3-(2-fluorophenyl)-1-phenyl-1H-pyrazol-5-yl]acetamide
CID 16030777

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]-4-fluorobenzamide?
The IUPAC name of N-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]-4-fluorobenzamide (CID 24720476) is N-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]-4-fluorobenzamide?
The canonical SMILES for N-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]-4-fluorobenzamide is COc1ccc(-n2nc(-c3ccc(Cl)cc3)cc2NC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]-4-fluorobenzamide?
The InChIKey is PGIHJRKSBJSWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClFN3O2/c1-30-20-12-10-19(11-13-20)28-22(26-23(29)16-4-8-18(25)9-5-16)14-21(27-28)15-2-6-17(24)7-3-15/h2-14H,1H3,(H,26,29).
What are the key properties of N-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]-4-fluorobenzamide?
N-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]-4-fluorobenzamide has a molecular weight of 421.86 g/mol, XLogP of 5.59, 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]-4-fluorobenzamide is sourced from PubChem (CID 24720476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).