2-(3,4-dimethoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide

C19H19N3O3 — CID 135315862

IUPAC2-(3,4-dimethoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccn(-c3ccccc3)n2)cc1OC
InChIInChI=1S/C19H19N3O3/c1-24-16-9-8-14(12-17(16)25-2)13-19(23)20-18-10-11-22(21-18)15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,20,21,23)
InChIKeySKJYVWQZNNHUAP-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.07
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide

2-(3,4-dimethoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide (PubChem CID 135315862) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide
PubChem CID135315862
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name2-(3,4-dimethoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccn(-c3ccccc3)n2)cc1OC
InChIInChI=1S/C19H19N3O3/c1-24-16-9-8-14(12-17(16)25-2)13-19(23)20-18-10-11-22(21-18)15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,20,21,23)
InChIKeySKJYVWQZNNHUAP-UHFFFAOYSA-N
XLogP3.07
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-fluoro-4-methoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide
CID 135315910
methyl 3-(3,4-dimethoxyphenyl)-3-[(1-phenylpyrazol-3-yl)carbamoylamino]propanoate
CID 47032953
2-(3,4-dimethoxyphenyl)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide
CID 17341526
N-[1-(3,4-dimethoxyphenyl)pyrazol-3-yl]-4-phenylpiperazine-1-carboxamide
CID 18799534
2-(2-bromo-4,5-diethoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide
CID 55537078
N-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-2-(3,4-dimethoxyphenyl)acetamide
CID 86897810
2-(1-methylpyrrol-2-yl)-N-(1-phenylpyrazol-3-yl)acetamide
CID 135315845
2-(3-methoxy-4-methylphenyl)-N-(1-methylpyrazol-3-yl)acetamide
CID 16622145
1-[(1R)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-(1-phenylpyrazol-3-yl)urea
CID 51728018
3-(4-methylphenyl)-N-(1-phenylpyrazol-3-yl)propanamide
CID 55536355
3-methyl-N-(1-phenylpyrazol-3-yl)butanamide
CID 110470740
2-(3,4-dimethoxyphenyl)-N-[6-(1-phenylethylamino)pyridazin-3-yl]acetamide
CID 113041197

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide (CID 135315862) is 2-(3,4-dimethoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide is COc1ccc(CC(=O)Nc2ccn(-c3ccccc3)n2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide?
The InChIKey is SKJYVWQZNNHUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-24-16-9-8-14(12-17(16)25-2)13-19(23)20-18-10-11-22(21-18)15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,20,21,23).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide?
2-(3,4-dimethoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide has a molecular weight of 337.38 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide is sourced from PubChem (CID 135315862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).