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

C19H16Cl3N3O2 — CID 19392908

IUPAC2-(4-chlorophenoxy)-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]acetamide
SMILESCc1cc(NC(=O)COc2ccc(Cl)cc2)nn1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H16Cl3N3O2/c1-12-8-18(23-19(26)11-27-15-5-3-14(20)4-6-15)24-25(12)10-13-2-7-16(21)17(22)9-13/h2-9H,10-11H2,1H3,(H,23,24,26)
InChIKeyIECKDFUBITWPEQ-UHFFFAOYSA-N
MW424.72 g/mol
LogP5.22
Rot. Bonds6

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

2-(4-chlorophenoxy)-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]acetamide (PubChem CID 19392908) has the molecular formula C19H16Cl3N3O2 and a molecular weight of 424.72 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]acetamide
PubChem CID19392908
Molecular FormulaC19H16Cl3N3O2
Molecular Weight424.72 g/mol
Exact Mass423.03
IUPAC Name2-(4-chlorophenoxy)-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]acetamide
SMILESCc1cc(NC(=O)COc2ccc(Cl)cc2)nn1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H16Cl3N3O2/c1-12-8-18(23-19(26)11-27-15-5-3-14(20)4-6-15)24-25(12)10-13-2-7-16(21)17(22)9-13/h2-9H,10-11H2,1H3,(H,23,24,26)
InChIKeyIECKDFUBITWPEQ-UHFFFAOYSA-N
XLogP5.22
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.72
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-[(4-methoxyphenoxy)methyl]benzamide
CID 19393000
N-[1-[(4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-2-phenoxyacetamide
CID 6459561
N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-naphthalen-2-yloxyacetamide
CID 19411380
5-chloro-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-methoxybenzamide
CID 19393131
2-[(4-chlorophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]pyrazole-3-carboxamide
CID 19284118
N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19393064
N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-(difluoromethoxy)benzamide
CID 19393006
N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-oxopropanamide
CID 19284125
N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3,5-dimethoxybenzamide
CID 19283982
N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-iodobenzamide
CID 19392905
N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-ethylpyrazole-3-carboxamide
CID 19392903
N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-(2-methylphenoxy)acetamide
CID 19411642

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]acetamide (CID 19392908) is 2-(4-chlorophenoxy)-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]acetamide is Cc1cc(NC(=O)COc2ccc(Cl)cc2)nn1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]acetamide?
The InChIKey is IECKDFUBITWPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl3N3O2/c1-12-8-18(23-19(26)11-27-15-5-3-14(20)4-6-15)24-25(12)10-13-2-7-16(21)17(22)9-13/h2-9H,10-11H2,1H3,(H,23,24,26).
What are the key properties of 2-(4-chlorophenoxy)-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]acetamide?
2-(4-chlorophenoxy)-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]acetamide has a molecular weight of 424.72 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]acetamide is sourced from PubChem (CID 19392908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).