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

C17H13Cl2N3O — CID 70305179

IUPAC2-chloro-N-[4-(4-chlorophenyl)-1-phenylpyrazol-3-yl]acetamide
SMILESO=C(CCl)Nc1nn(-c2ccccc2)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C17H13Cl2N3O/c18-10-16(23)20-17-15(12-6-8-13(19)9-7-12)11-22(21-17)14-4-2-1-3-5-14/h1-9,11H,10H2,(H,20,21,23)
InChIKeyLDVBIRQWTWFTOJ-UHFFFAOYSA-N
MW346.22 g/mol
LogP4.37
Rot. Bonds4

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

2-chloro-N-[4-(4-chlorophenyl)-1-phenylpyrazol-3-yl]acetamide (PubChem CID 70305179) has the molecular formula C17H13Cl2N3O and a molecular weight of 346.22 g/mol. Its IUPAC name is 2-chloro-N-[4-(4-chlorophenyl)-1-phenylpyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[4-(4-chlorophenyl)-1-phenylpyrazol-3-yl]acetamide
PubChem CID70305179
Molecular FormulaC17H13Cl2N3O
Molecular Weight346.22 g/mol
Exact Mass345.04
IUPAC Name2-chloro-N-[4-(4-chlorophenyl)-1-phenylpyrazol-3-yl]acetamide
SMILESO=C(CCl)Nc1nn(-c2ccccc2)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C17H13Cl2N3O/c18-10-16(23)20-17-15(12-6-8-13(19)9-7-12)11-22(21-17)14-4-2-1-3-5-14/h1-9,11H,10H2,(H,20,21,23)
InChIKeyLDVBIRQWTWFTOJ-UHFFFAOYSA-N
XLogP4.37
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 54.37
H-Bond Donors ≤ 51
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-[4-(4-chlorophenyl)-1-phenylpyrazol-3-yl]acetamide?
The IUPAC name of 2-chloro-N-[4-(4-chlorophenyl)-1-phenylpyrazol-3-yl]acetamide (CID 70305179) is 2-chloro-N-[4-(4-chlorophenyl)-1-phenylpyrazol-3-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[4-(4-chlorophenyl)-1-phenylpyrazol-3-yl]acetamide?
The canonical SMILES for 2-chloro-N-[4-(4-chlorophenyl)-1-phenylpyrazol-3-yl]acetamide is O=C(CCl)Nc1nn(-c2ccccc2)cc1-c1ccc(Cl)cc1.
What is the InChIKey of 2-chloro-N-[4-(4-chlorophenyl)-1-phenylpyrazol-3-yl]acetamide?
The InChIKey is LDVBIRQWTWFTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O/c18-10-16(23)20-17-15(12-6-8-13(19)9-7-12)11-22(21-17)14-4-2-1-3-5-14/h1-9,11H,10H2,(H,20,21,23).
What are the key properties of 2-chloro-N-[4-(4-chlorophenyl)-1-phenylpyrazol-3-yl]acetamide?
2-chloro-N-[4-(4-chlorophenyl)-1-phenylpyrazol-3-yl]acetamide has a molecular weight of 346.22 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(4-chlorophenyl)-1-phenylpyrazol-3-yl]acetamide is sourced from PubChem (CID 70305179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).