2-[3-(1,3-benzodioxol-5-yl)-5-phenyl-1H-pyrazol-4-yl]-N-hydroxyacetamide

C18H15N3O4 — CID 163282611

IUPAC2-[3-(1,3-benzodioxol-5-yl)-5-phenyl-1H-pyrazol-4-yl]-N-hydroxyacetamide
SMILESO=C(Cc1c(-c2ccc3c(c2)OCO3)n[nH]c1-c1ccccc1)NO
InChIInChI=1S/C18H15N3O4/c22-16(21-23)9-13-17(11-4-2-1-3-5-11)19-20-18(13)12-6-7-14-15(8-12)25-10-24-14/h1-8,23H,9-10H2,(H,19,20)(H,21,22)
InChIKeyWBMGARYGIVKRJA-UHFFFAOYSA-N
MW337.34 g/mol
LogP2.52
Rot. Bonds4

About 2-[3-(1,3-benzodioxol-5-yl)-5-phenyl-1H-pyrazol-4-yl]-N-hydroxyacetamide

2-[3-(1,3-benzodioxol-5-yl)-5-phenyl-1H-pyrazol-4-yl]-N-hydroxyacetamide (PubChem CID 163282611) has the molecular formula C18H15N3O4 and a molecular weight of 337.34 g/mol. Its IUPAC name is 2-[3-(1,3-benzodioxol-5-yl)-5-phenyl-1H-pyrazol-4-yl]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[3-(1,3-benzodioxol-5-yl)-5-phenyl-1H-pyrazol-4-yl]-N-hydroxyacetamide
PubChem CID163282611
Molecular FormulaC18H15N3O4
Molecular Weight337.34 g/mol
Exact Mass337.11
IUPAC Name2-[3-(1,3-benzodioxol-5-yl)-5-phenyl-1H-pyrazol-4-yl]-N-hydroxyacetamide
SMILESO=C(Cc1c(-c2ccc3c(c2)OCO3)n[nH]c1-c1ccccc1)NO
InChIInChI=1S/C18H15N3O4/c22-16(21-23)9-13-17(11-4-2-1-3-5-11)19-20-18(13)12-6-7-14-15(8-12)25-10-24-14/h1-8,23H,9-10H2,(H,19,20)(H,21,22)
InChIKeyWBMGARYGIVKRJA-UHFFFAOYSA-N
XLogP2.52
TPSA96.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-(1,3-benzodioxol-5-yl)-5-ethyl-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide
CID 42874049
2-[3-(1,3-benzodioxol-5-yl)-5-methyl-1H-pyrazol-4-yl]ethanamine
CID 82478929
N-[3-(1,3-benzodioxol-5-yl)-5-ethyl-1H-pyrazol-4-yl]-2-methylpropanamide
CID 42685984
3-(1,3-benzodioxol-5-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 19513258
2-[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]acetic acid
CID 91665266
3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carbohydrazide
CID 853504
3-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]benzoic acid
CID 141357487
5-phenyl-3-[3-(5-phenyl-4-propyl-1H-pyrazol-3-yl)phenyl]-4-propyl-1H-pyrazole
CID 118529496
2-(1,3-benzodioxol-5-yl)benzoate
CID 7022485
N-(5-phenyl-1H-pyrazol-3-yl)-1,3-benzodioxole-5-carboxamide
CID 35532209
3-[4-(1,3-benzodioxol-5-yl)-5-bromo-1H-imidazol-2-yl]propanoic acid
CID 84611790
2-(1,3-benzodioxol-5-yl)-3-bromo-4-phenylquinoline
CID 2465752

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,3-benzodioxol-5-yl)-5-phenyl-1H-pyrazol-4-yl]-N-hydroxyacetamide?
The IUPAC name of 2-[3-(1,3-benzodioxol-5-yl)-5-phenyl-1H-pyrazol-4-yl]-N-hydroxyacetamide (CID 163282611) is 2-[3-(1,3-benzodioxol-5-yl)-5-phenyl-1H-pyrazol-4-yl]-N-hydroxyacetamide.
What is the SMILES notation for 2-[3-(1,3-benzodioxol-5-yl)-5-phenyl-1H-pyrazol-4-yl]-N-hydroxyacetamide?
The canonical SMILES for 2-[3-(1,3-benzodioxol-5-yl)-5-phenyl-1H-pyrazol-4-yl]-N-hydroxyacetamide is O=C(Cc1c(-c2ccc3c(c2)OCO3)n[nH]c1-c1ccccc1)NO.
What is the InChIKey of 2-[3-(1,3-benzodioxol-5-yl)-5-phenyl-1H-pyrazol-4-yl]-N-hydroxyacetamide?
The InChIKey is WBMGARYGIVKRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4/c22-16(21-23)9-13-17(11-4-2-1-3-5-11)19-20-18(13)12-6-7-14-15(8-12)25-10-24-14/h1-8,23H,9-10H2,(H,19,20)(H,21,22).
What are the key properties of 2-[3-(1,3-benzodioxol-5-yl)-5-phenyl-1H-pyrazol-4-yl]-N-hydroxyacetamide?
2-[3-(1,3-benzodioxol-5-yl)-5-phenyl-1H-pyrazol-4-yl]-N-hydroxyacetamide has a molecular weight of 337.34 g/mol, XLogP of 2.52, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,3-benzodioxol-5-yl)-5-phenyl-1H-pyrazol-4-yl]-N-hydroxyacetamide is sourced from PubChem (CID 163282611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).