N-[3-(2-methylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-4-phenyl-1H-pyrazole-5-carboxamide

C25H20N4O2 — CID 176619907

IUPACN-[3-(2-methylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-4-phenyl-1H-pyrazole-5-carboxamide
SMILESCc1ccccc1C1NC(=O)c2cccc(NC(=O)c3[nH]ncc3-c3ccccc3)c21
InChIInChI=1S/C25H20N4O2/c1-15-8-5-6-11-17(15)22-21-18(24(30)28-22)12-7-13-20(21)27-25(31)23-19(14-26-29-23)16-9-3-2-4-10-16/h2-14,22H,1H3,(H,26,29)(H,27,31)(H,28,30)
InChIKeyKIFBJAMZKMISTB-UHFFFAOYSA-N
MW408.46 g/mol
LogP4.47
Rot. Bonds4

About N-[3-(2-methylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-4-phenyl-1H-pyrazole-5-carboxamide

N-[3-(2-methylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-4-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 176619907) has the molecular formula C25H20N4O2 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-[3-(2-methylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-4-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-4-phenyl-1H-pyrazole-5-carboxamide
PubChem CID176619907
Molecular FormulaC25H20N4O2
Molecular Weight408.46 g/mol
Exact Mass408.16
IUPAC NameN-[3-(2-methylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-4-phenyl-1H-pyrazole-5-carboxamide
SMILESCc1ccccc1C1NC(=O)c2cccc(NC(=O)c3[nH]ncc3-c3ccccc3)c21
InChIInChI=1S/C25H20N4O2/c1-15-8-5-6-11-17(15)22-21-18(24(30)28-22)12-7-13-20(21)27-25(31)23-19(14-26-29-23)16-9-3-2-4-10-16/h2-14,22H,1H3,(H,26,29)(H,27,31)(H,28,30)
InChIKeyKIFBJAMZKMISTB-UHFFFAOYSA-N
XLogP4.47
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[3-(2-methylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-4-phenyl-1H-pyrazole-5-carboxamide 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 N-[3-(2-methylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-4-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[3-(2-methylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-4-phenyl-1H-pyrazole-5-carboxamide (CID 176619907) is N-[3-(2-methylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-4-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[3-(2-methylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-4-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[3-(2-methylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-4-phenyl-1H-pyrazole-5-carboxamide is Cc1ccccc1C1NC(=O)c2cccc(NC(=O)c3[nH]ncc3-c3ccccc3)c21.
What is the InChIKey of N-[3-(2-methylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-4-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is KIFBJAMZKMISTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O2/c1-15-8-5-6-11-17(15)22-21-18(24(30)28-22)12-7-13-20(21)27-25(31)23-19(14-26-29-23)16-9-3-2-4-10-16/h2-14,22H,1H3,(H,26,29)(H,27,31)(H,28,30).
What are the key properties of N-[3-(2-methylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-4-phenyl-1H-pyrazole-5-carboxamide?
N-[3-(2-methylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-4-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 4.47, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-4-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 176619907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).