N-[[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]methyl]-1,3-dihydroisoindole-2-carboxamide

C23H26N4O — CID 68754876

IUPACN-[[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]methyl]-1,3-dihydroisoindole-2-carboxamide
SMILESCC(C)Cn1cc(-c2ccc(CNC(=O)N3Cc4ccccc4C3)cc2)cn1
InChIInChI=1S/C23H26N4O/c1-17(2)13-27-16-22(12-25-27)19-9-7-18(8-10-19)11-24-23(28)26-14-20-5-3-4-6-21(20)15-26/h3-10,12,16-17H,11,13-15H2,1-2H3,(H,24,28)
InChIKeyKLIZOWBVNLQAHW-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.43
Rot. Bonds5

About N-[[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]methyl]-1,3-dihydroisoindole-2-carboxamide

N-[[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]methyl]-1,3-dihydroisoindole-2-carboxamide (PubChem CID 68754876) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]methyl]-1,3-dihydroisoindole-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]methyl]-1,3-dihydroisoindole-2-carboxamide
PubChem CID68754876
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN-[[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]methyl]-1,3-dihydroisoindole-2-carboxamide
SMILESCC(C)Cn1cc(-c2ccc(CNC(=O)N3Cc4ccccc4C3)cc2)cn1
InChIInChI=1S/C23H26N4O/c1-17(2)13-27-16-22(12-25-27)19-9-7-18(8-10-19)11-24-23(28)26-14-20-5-3-4-6-21(20)15-26/h3-10,12,16-17H,11,13-15H2,1-2H3,(H,24,28)
InChIKeyKLIZOWBVNLQAHW-UHFFFAOYSA-N
XLogP4.43
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]methyl]-1,3-dihydroisoindole-2-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-[[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]methyl]-1,3-dihydroisoindole-2-carboxamide?
The IUPAC name of N-[[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]methyl]-1,3-dihydroisoindole-2-carboxamide (CID 68754876) is N-[[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]methyl]-1,3-dihydroisoindole-2-carboxamide.
What is the SMILES notation for N-[[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]methyl]-1,3-dihydroisoindole-2-carboxamide?
The canonical SMILES for N-[[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]methyl]-1,3-dihydroisoindole-2-carboxamide is CC(C)Cn1cc(-c2ccc(CNC(=O)N3Cc4ccccc4C3)cc2)cn1.
What is the InChIKey of N-[[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]methyl]-1,3-dihydroisoindole-2-carboxamide?
The InChIKey is KLIZOWBVNLQAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-17(2)13-27-16-22(12-25-27)19-9-7-18(8-10-19)11-24-23(28)26-14-20-5-3-4-6-21(20)15-26/h3-10,12,16-17H,11,13-15H2,1-2H3,(H,24,28).
What are the key properties of N-[[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]methyl]-1,3-dihydroisoindole-2-carboxamide?
N-[[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]methyl]-1,3-dihydroisoindole-2-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]methyl]-1,3-dihydroisoindole-2-carboxamide is sourced from PubChem (CID 68754876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).