N-(6-acetyl-1,3-benzodioxol-5-yl)-1,3-diphenylpyrazole-4-carboxamide

C25H19N3O4 — CID 18076787

IUPACN-(6-acetyl-1,3-benzodioxol-5-yl)-1,3-diphenylpyrazole-4-carboxamide
SMILESCC(=O)c1cc2c(cc1NC(=O)c1cn(-c3ccccc3)nc1-c1ccccc1)OCO2
InChIInChI=1S/C25H19N3O4/c1-16(29)19-12-22-23(32-15-31-22)13-21(19)26-25(30)20-14-28(18-10-6-3-7-11-18)27-24(20)17-8-4-2-5-9-17/h2-14H,15H2,1H3,(H,26,30)
InChIKeyRVVWBXNRMUHJMH-UHFFFAOYSA-N
MW425.44 g/mol
LogP4.72
Rot. Bonds5

About N-(6-acetyl-1,3-benzodioxol-5-yl)-1,3-diphenylpyrazole-4-carboxamide

N-(6-acetyl-1,3-benzodioxol-5-yl)-1,3-diphenylpyrazole-4-carboxamide (PubChem CID 18076787) has the molecular formula C25H19N3O4 and a molecular weight of 425.44 g/mol. Its IUPAC name is N-(6-acetyl-1,3-benzodioxol-5-yl)-1,3-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-acetyl-1,3-benzodioxol-5-yl)-1,3-diphenylpyrazole-4-carboxamide
PubChem CID18076787
Molecular FormulaC25H19N3O4
Molecular Weight425.44 g/mol
Exact Mass425.14
IUPAC NameN-(6-acetyl-1,3-benzodioxol-5-yl)-1,3-diphenylpyrazole-4-carboxamide
SMILESCC(=O)c1cc2c(cc1NC(=O)c1cn(-c3ccccc3)nc1-c1ccccc1)OCO2
InChIInChI=1S/C25H19N3O4/c1-16(29)19-12-22-23(32-15-31-22)13-21(19)26-25(30)20-14-28(18-10-6-3-7-11-18)27-24(20)17-8-4-2-5-9-17/h2-14H,15H2,1H3,(H,26,30)
InChIKeyRVVWBXNRMUHJMH-UHFFFAOYSA-N
XLogP4.72
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-dimethylphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 19281305
N-(3-acetamido-4-methylphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 55784527
N-(5-fluoro-2-methylphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 7777734
2-[(6-acetyl-1,3-benzodioxol-5-yl)carbamoyl]benzoate
CID 6990078
N-(4-acetamidophenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 9110013
N-(4-tert-butylphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 7914296
N-(5-acetamido-2-methoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 42282110
N-(6-acetyl-1,3-benzodioxol-5-yl)-4-benzamidobenzamide
CID 36753669
N-(2-morpholin-4-ylphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 17482398
N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1,3-diphenylpyrazole-4-carboxamide
CID 2475126
1,3-diphenyl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 19281225
N-(4-methoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 1217619

Frequently Asked Questions

What is the IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-1,3-diphenylpyrazole-4-carboxamide?
The IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-1,3-diphenylpyrazole-4-carboxamide (CID 18076787) is N-(6-acetyl-1,3-benzodioxol-5-yl)-1,3-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(6-acetyl-1,3-benzodioxol-5-yl)-1,3-diphenylpyrazole-4-carboxamide?
The canonical SMILES for N-(6-acetyl-1,3-benzodioxol-5-yl)-1,3-diphenylpyrazole-4-carboxamide is CC(=O)c1cc2c(cc1NC(=O)c1cn(-c3ccccc3)nc1-c1ccccc1)OCO2.
What is the InChIKey of N-(6-acetyl-1,3-benzodioxol-5-yl)-1,3-diphenylpyrazole-4-carboxamide?
The InChIKey is RVVWBXNRMUHJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O4/c1-16(29)19-12-22-23(32-15-31-22)13-21(19)26-25(30)20-14-28(18-10-6-3-7-11-18)27-24(20)17-8-4-2-5-9-17/h2-14H,15H2,1H3,(H,26,30).
What are the key properties of N-(6-acetyl-1,3-benzodioxol-5-yl)-1,3-diphenylpyrazole-4-carboxamide?
N-(6-acetyl-1,3-benzodioxol-5-yl)-1,3-diphenylpyrazole-4-carboxamide has a molecular weight of 425.44 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetyl-1,3-benzodioxol-5-yl)-1,3-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 18076787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).