2-chloro-N-(1,3-diphenylpyrazol-4-yl)acetamide

C17H14ClN3O — CID 2319244

IUPAC2-chloro-N-(1,3-diphenylpyrazol-4-yl)acetamide
SMILESO=C(CCl)Nc1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C17H14ClN3O/c18-11-16(22)19-15-12-21(14-9-5-2-6-10-14)20-17(15)13-7-3-1-4-8-13/h1-10,12H,11H2,(H,19,22)
InChIKeyTTZCSOWBEWACCC-UHFFFAOYSA-N
MW311.77 g/mol
LogP3.72
Rot. Bonds4

About 2-chloro-N-(1,3-diphenylpyrazol-4-yl)acetamide

2-chloro-N-(1,3-diphenylpyrazol-4-yl)acetamide (PubChem CID 2319244) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is 2-chloro-N-(1,3-diphenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(1,3-diphenylpyrazol-4-yl)acetamide
PubChem CID2319244
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC Name2-chloro-N-(1,3-diphenylpyrazol-4-yl)acetamide
SMILESO=C(CCl)Nc1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C17H14ClN3O/c18-11-16(22)19-15-12-21(14-9-5-2-6-10-14)20-17(15)13-7-3-1-4-8-13/h1-10,12H,11H2,(H,19,22)
InChIKeyTTZCSOWBEWACCC-UHFFFAOYSA-N
XLogP3.72
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Acetamide, N-(1-phenylpyrazol-4-yl)-
CID 200720
(E)-N-(2-aminophenyl)-3-[1-[(E)-3-phenylprop-2-enyl]pyrazol-4-yl]prop-2-enamide
CID 60198484
2-chloro-N-(3,5-dimethyl-1-(4-methylphenyl)-1H-pyrazol-4-yl)acetamide
CID 2080976
4-(chloromethyl)-1,3-diphenyl-1H-pyrazole
CID 2333908
N-methyl-2-(3-phenyl-1H-pyrazol-1-yl)aniline
CID 869424
2-chloro-N-[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]acetamide
CID 2104090
N-(1,3-diphenyl-1H-pyrazol-4-yl)benzamide
CID 2110831
2-anilino-N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]acetamide
CID 6906283
2-chloro-N-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]acetamide
CID 2104089
3-[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]-N-phenylacrylamide
CID 2173124
N-(1,3-diphenylpyrazol-4-yl)acetamide
CID 2319248
(1R)-1-phenyl-N-((1-phenyl-1H-pyrazol-3-yl)methyl)ethanamine
CID 44542931

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1,3-diphenylpyrazol-4-yl)acetamide?
The IUPAC name of 2-chloro-N-(1,3-diphenylpyrazol-4-yl)acetamide (CID 2319244) is 2-chloro-N-(1,3-diphenylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(1,3-diphenylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-chloro-N-(1,3-diphenylpyrazol-4-yl)acetamide is O=C(CCl)Nc1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 2-chloro-N-(1,3-diphenylpyrazol-4-yl)acetamide?
The InChIKey is TTZCSOWBEWACCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O/c18-11-16(22)19-15-12-21(14-9-5-2-6-10-14)20-17(15)13-7-3-1-4-8-13/h1-10,12H,11H2,(H,19,22).
What are the key properties of 2-chloro-N-(1,3-diphenylpyrazol-4-yl)acetamide?
2-chloro-N-(1,3-diphenylpyrazol-4-yl)acetamide has a molecular weight of 311.77 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1,3-diphenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 2319244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).