N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide

C23H23N3O3 — CID 51232800

IUPACN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
SMILESCc1nn(Cc2ccccc2)c(C)c1CNC(=O)C1Cc2ccccc2C(=O)O1
InChIInChI=1S/C23H23N3O3/c1-15-20(16(2)26(25-15)14-17-8-4-3-5-9-17)13-24-22(27)21-12-18-10-6-7-11-19(18)23(28)29-21/h3-11,21H,12-14H2,1-2H3,(H,24,27)
InChIKeyWRSUGMCQKAMADP-UHFFFAOYSA-N
MW389.45 g/mol
LogP2.95
Rot. Bonds5

About N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide

N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide (PubChem CID 51232800) has the molecular formula C23H23N3O3 and a molecular weight of 389.45 g/mol. Its IUPAC name is N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide.

Molecular Properties

Compound NameN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
PubChem CID51232800
Molecular FormulaC23H23N3O3
Molecular Weight389.45 g/mol
Exact Mass389.17
IUPAC NameN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
SMILESCc1nn(Cc2ccccc2)c(C)c1CNC(=O)C1Cc2ccccc2C(=O)O1
InChIInChI=1S/C23H23N3O3/c1-15-20(16(2)26(25-15)14-17-8-4-3-5-9-17)13-24-22(27)21-12-18-10-6-7-11-19(18)23(28)29-21/h3-11,21H,12-14H2,1-2H3,(H,24,27)
InChIKeyWRSUGMCQKAMADP-UHFFFAOYSA-N
XLogP2.95
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide 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

N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119694438
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 55558860
(3R)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 26002894
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpropanamide
CID 35437972
(2S)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidine-2-carboxamide
CID 17395544
trans-(1S,2S)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 41447387
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3,3-dicyclopropylpropanamide
CID 48574002
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(cyclopropylmethylamino)acetamide
CID 119694423
2-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide;hydrochloride
CID 119273855
3-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119694410
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylphenyl)acetamide
CID 8944173
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-cyanophenyl)benzamide
CID 17393796

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide?
The IUPAC name of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide (CID 51232800) is N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide.
What is the SMILES notation for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide?
The canonical SMILES for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide is Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C1Cc2ccccc2C(=O)O1.
What is the InChIKey of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide?
The InChIKey is WRSUGMCQKAMADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-15-20(16(2)26(25-15)14-17-8-4-3-5-9-17)13-24-22(27)21-12-18-10-6-7-11-19(18)23(28)29-21/h3-11,21H,12-14H2,1-2H3,(H,24,27).
What are the key properties of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide?
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide has a molecular weight of 389.45 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide is sourced from PubChem (CID 51232800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).