4-[5-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-3-yl]benzamide

C23H17N3O3 — CID 45273800

IUPAC4-[5-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-3-yl]benzamide
SMILESNC(=O)c1ccc(-c2cc(-c3ccc4c(c3)OCO4)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H17N3O3/c24-23(27)16-8-6-15(7-9-16)19-13-20(26(25-19)18-4-2-1-3-5-18)17-10-11-21-22(12-17)29-14-28-21/h1-13H,14H2,(H2,24,27)
InChIKeyFZCUDIFPVRJUAS-UHFFFAOYSA-N
MW383.41 g/mol
LogP4.03
Rot. Bonds4

About 4-[5-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-3-yl]benzamide

4-[5-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-3-yl]benzamide (PubChem CID 45273800) has the molecular formula C23H17N3O3 and a molecular weight of 383.41 g/mol. Its IUPAC name is 4-[5-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-[5-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-3-yl]benzamide
PubChem CID45273800
Molecular FormulaC23H17N3O3
Molecular Weight383.41 g/mol
Exact Mass383.13
IUPAC Name4-[5-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-3-yl]benzamide
SMILESNC(=O)c1ccc(-c2cc(-c3ccc4c(c3)OCO4)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H17N3O3/c24-23(27)16-8-6-15(7-9-16)19-13-20(26(25-19)18-4-2-1-3-5-18)17-10-11-21-22(12-17)29-14-28-21/h1-13H,14H2,(H2,24,27)
InChIKeyFZCUDIFPVRJUAS-UHFFFAOYSA-N
XLogP4.03
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[5-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-3-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[5-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-3-yl]benzonitrile
CID 141141743
tert-butyl N-[(1R)-1-[5-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-3-yl]-2-hydroxyethyl]carbamate
CID 102237853
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazole-5-carbonyl chloride
CID 26596110
tert-butyl (4R)-4-[5-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-3-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 102237848
1,3,5-triphenylpyrazole
CID 626614
1,3-benzodioxole-5-carboxamide;benzoic acid
CID 175362662
4-[5-(1,3-benzodioxol-5-yl)-1-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]benzamide
CID 10069509
3-[3-(1,3-benzodioxol-5-yl)-5-ethoxycarbonylpyrazol-1-yl]benzoic acid
CID 2381073
5-(1,3-benzodioxol-5-yl)-1-(4-isocyanatophenyl)pyrazole-3-carboxylic acid
CID 169355913
4-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-phenylphthalazin-1-one
CID 50928243
4-[5-(1,3-benzodioxol-5-yl)-1-(3-chlorophenyl)sulfonylpyrrol-3-yl]benzamide
CID 69050818
4-[5-amino-3-(1,3-benzodioxol-5-ylamino)-1,2,4-triazol-1-yl]benzamide
CID 58976386

Frequently Asked Questions

What is the IUPAC name of 4-[5-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-3-yl]benzamide?
The IUPAC name of 4-[5-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-3-yl]benzamide (CID 45273800) is 4-[5-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-3-yl]benzamide.
What is the SMILES notation for 4-[5-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-3-yl]benzamide?
The canonical SMILES for 4-[5-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-3-yl]benzamide is NC(=O)c1ccc(-c2cc(-c3ccc4c(c3)OCO4)n(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-[5-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-3-yl]benzamide?
The InChIKey is FZCUDIFPVRJUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O3/c24-23(27)16-8-6-15(7-9-16)19-13-20(26(25-19)18-4-2-1-3-5-18)17-10-11-21-22(12-17)29-14-28-21/h1-13H,14H2,(H2,24,27).
What are the key properties of 4-[5-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-3-yl]benzamide?
4-[5-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-3-yl]benzamide has a molecular weight of 383.41 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-3-yl]benzamide is sourced from PubChem (CID 45273800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).