4-tert-butyl-N-[5-(2-phenylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide

C24H26N4O2 — CID 10111728

IUPAC4-tert-butyl-N-[5-(2-phenylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2n[nH]c3c2CN(C(=O)Cc2ccccc2)C3)cc1
InChIInChI=1S/C24H26N4O2/c1-24(2,3)18-11-9-17(10-12-18)23(30)25-22-19-14-28(15-20(19)26-27-22)21(29)13-16-7-5-4-6-8-16/h4-12H,13-15H2,1-3H3,(H2,25,26,27,30)
InChIKeyOEXOAONFGZUXSU-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.04
Rot. Bonds4

About 4-tert-butyl-N-[5-(2-phenylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide

4-tert-butyl-N-[5-(2-phenylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide (PubChem CID 10111728) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 4-tert-butyl-N-[5-(2-phenylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[5-(2-phenylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide
PubChem CID10111728
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name4-tert-butyl-N-[5-(2-phenylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2n[nH]c3c2CN(C(=O)Cc2ccccc2)C3)cc1
InChIInChI=1S/C24H26N4O2/c1-24(2,3)18-11-9-17(10-12-18)23(30)25-22-19-14-28(15-20(19)26-27-22)21(29)13-16-7-5-4-6-8-16/h4-12H,13-15H2,1-3H3,(H2,25,26,27,30)
InChIKeyOEXOAONFGZUXSU-UHFFFAOYSA-N
XLogP4.04
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-tert-butyl-N-[5-(2-phenylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-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

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[5-(2-phenylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[5-(2-phenylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide (CID 10111728) is 4-tert-butyl-N-[5-(2-phenylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[5-(2-phenylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[5-(2-phenylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide is CC(C)(C)c1ccc(C(=O)Nc2n[nH]c3c2CN(C(=O)Cc2ccccc2)C3)cc1.
What is the InChIKey of 4-tert-butyl-N-[5-(2-phenylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide?
The InChIKey is OEXOAONFGZUXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-24(2,3)18-11-9-17(10-12-18)23(30)25-22-19-14-28(15-20(19)26-27-22)21(29)13-16-7-5-4-6-8-16/h4-12H,13-15H2,1-3H3,(H2,25,26,27,30).
What are the key properties of 4-tert-butyl-N-[5-(2-phenylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide?
4-tert-butyl-N-[5-(2-phenylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide has a molecular weight of 402.50 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[5-(2-phenylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide is sourced from PubChem (CID 10111728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).