2-chloro-N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-N-(4-chlorophenyl)acetamide

C19H16Cl3N3O — CID 1124686

IUPAC2-chloro-N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-N-(4-chlorophenyl)acetamide
SMILESCc1nn(-c2ccccc2)c(Cl)c1CN(C(=O)CCl)c1ccc(Cl)cc1
InChIInChI=1S/C19H16Cl3N3O/c1-13-17(19(22)25(23-13)16-5-3-2-4-6-16)12-24(18(26)11-20)15-9-7-14(21)8-10-15/h2-10H,11-12H2,1H3
InChIKeySEBZYCZOQDPQHF-UHFFFAOYSA-N
MW408.72 g/mol
LogP5.26
Rot. Bonds5

About 2-chloro-N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-N-(4-chlorophenyl)acetamide

2-chloro-N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-N-(4-chlorophenyl)acetamide (PubChem CID 1124686) has the molecular formula C19H16Cl3N3O and a molecular weight of 408.72 g/mol. Its IUPAC name is 2-chloro-N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-N-(4-chlorophenyl)acetamide
PubChem CID1124686
Molecular FormulaC19H16Cl3N3O
Molecular Weight408.72 g/mol
Exact Mass407.04
IUPAC Name2-chloro-N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-N-(4-chlorophenyl)acetamide
SMILESCc1nn(-c2ccccc2)c(Cl)c1CN(C(=O)CCl)c1ccc(Cl)cc1
InChIInChI=1S/C19H16Cl3N3O/c1-13-17(19(22)25(23-13)16-5-3-2-4-6-16)12-24(18(26)11-20)15-9-7-14(21)8-10-15/h2-10H,11-12H2,1H3
InChIKeySEBZYCZOQDPQHF-UHFFFAOYSA-N
XLogP5.26
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.72
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-chloro-N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-N-(4-chlorophenyl)acetamide (CID 1124686) is 2-chloro-N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-chloro-N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-chloro-N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-N-(4-chlorophenyl)acetamide is Cc1nn(-c2ccccc2)c(Cl)c1CN(C(=O)CCl)c1ccc(Cl)cc1.
What is the InChIKey of 2-chloro-N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-N-(4-chlorophenyl)acetamide?
The InChIKey is SEBZYCZOQDPQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl3N3O/c1-13-17(19(22)25(23-13)16-5-3-2-4-6-16)12-24(18(26)11-20)15-9-7-14(21)8-10-15/h2-10H,11-12H2,1H3.
What are the key properties of 2-chloro-N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-N-(4-chlorophenyl)acetamide?
2-chloro-N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-N-(4-chlorophenyl)acetamide has a molecular weight of 408.72 g/mol, XLogP of 5.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 1124686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).