5-chloro-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-methoxybenzamide

C19H16Cl3N3O2 — CID 19393131

IUPAC5-chloro-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1cc(C)n(Cc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C19H16Cl3N3O2/c1-11-7-18(23-19(26)14-9-13(20)4-6-17(14)27-2)24-25(11)10-12-3-5-15(21)16(22)8-12/h3-9H,10H2,1-2H3,(H,23,24,26)
InChIKeyIFFOTKCMTXTIIU-UHFFFAOYSA-N
MW424.72 g/mol
LogP5.46
Rot. Bonds5

About 5-chloro-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-methoxybenzamide

5-chloro-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-methoxybenzamide (PubChem CID 19393131) has the molecular formula C19H16Cl3N3O2 and a molecular weight of 424.72 g/mol. Its IUPAC name is 5-chloro-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-methoxybenzamide
PubChem CID19393131
Molecular FormulaC19H16Cl3N3O2
Molecular Weight424.72 g/mol
Exact Mass423.03
IUPAC Name5-chloro-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1cc(C)n(Cc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C19H16Cl3N3O2/c1-11-7-18(23-19(26)14-9-13(20)4-6-17(14)27-2)24-25(11)10-12-3-5-15(21)16(22)8-12/h3-9H,10H2,1-2H3,(H,23,24,26)
InChIKeyIFFOTKCMTXTIIU-UHFFFAOYSA-N
XLogP5.46
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.72
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-(difluoromethoxy)benzamide
CID 19393012
2-(4-chlorophenoxy)-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]acetamide
CID 19392908
N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-iodobenzamide
CID 19392905
N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-(difluoromethoxy)benzamide
CID 19393007
N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2,3,4-trimethoxybenzamide
CID 19337333
N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-2,4-dimethoxybenzamide
CID 19411613
5-chloro-N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methoxybenzamide
CID 19341336
N-(1-benzyl-5-methylpyrazol-3-yl)-2,4-dichlorobenzamide
CID 19335076
N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3,5-dimethoxybenzamide
CID 19283982
N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-[(4-methoxyphenoxy)methyl]benzamide
CID 19393000
N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-ethylpyrazole-3-carboxamide
CID 19392903
N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19393064

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-methoxybenzamide (CID 19393131) is 5-chloro-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)Nc1cc(C)n(Cc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 5-chloro-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-methoxybenzamide?
The InChIKey is IFFOTKCMTXTIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl3N3O2/c1-11-7-18(23-19(26)14-9-13(20)4-6-17(14)27-2)24-25(11)10-12-3-5-15(21)16(22)8-12/h3-9H,10H2,1-2H3,(H,23,24,26).
What are the key properties of 5-chloro-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-methoxybenzamide?
5-chloro-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-methoxybenzamide has a molecular weight of 424.72 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-methoxybenzamide is sourced from PubChem (CID 19393131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).