1-methyl-N-[[5-(3-methylphenyl)isoquinolin-8-yl]methyl]-3-propylpyrazole-5-carboxamide

C25H26N4O — CID 130465524

IUPAC1-methyl-N-[[5-(3-methylphenyl)isoquinolin-8-yl]methyl]-3-propylpyrazole-5-carboxamide
SMILESCCCc1cc(C(=O)NCc2ccc(-c3cccc(C)c3)c3ccncc23)n(C)n1
InChIInChI=1S/C25H26N4O/c1-4-6-20-14-24(29(3)28-20)25(30)27-15-19-9-10-21(18-8-5-7-17(2)13-18)22-11-12-26-16-23(19)22/h5,7-14,16H,4,6,15H2,1-3H3,(H,27,30)
InChIKeyZQOOBRAAOZRLNZ-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.83
Rot. Bonds6

About 1-methyl-N-[[5-(3-methylphenyl)isoquinolin-8-yl]methyl]-3-propylpyrazole-5-carboxamide

1-methyl-N-[[5-(3-methylphenyl)isoquinolin-8-yl]methyl]-3-propylpyrazole-5-carboxamide (PubChem CID 130465524) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is 1-methyl-N-[[5-(3-methylphenyl)isoquinolin-8-yl]methyl]-3-propylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[5-(3-methylphenyl)isoquinolin-8-yl]methyl]-3-propylpyrazole-5-carboxamide
PubChem CID130465524
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC Name1-methyl-N-[[5-(3-methylphenyl)isoquinolin-8-yl]methyl]-3-propylpyrazole-5-carboxamide
SMILESCCCc1cc(C(=O)NCc2ccc(-c3cccc(C)c3)c3ccncc23)n(C)n1
InChIInChI=1S/C25H26N4O/c1-4-6-20-14-24(29(3)28-20)25(30)27-15-19-9-10-21(18-8-5-7-17(2)13-18)22-11-12-26-16-23(19)22/h5,7-14,16H,4,6,15H2,1-3H3,(H,27,30)
InChIKeyZQOOBRAAOZRLNZ-UHFFFAOYSA-N
XLogP4.83
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-N-[[5-(3-methylphenyl)isoquinolin-8-yl]methyl]-3-propylpyrazole-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

Related Compounds

2-phenyl-N-[(5-phenylisoquinolin-8-yl)methyl]acetamide
CID 7327457
2-(4-methoxyphenyl)-N-[[5-(3-methylphenyl)isoquinolin-8-yl]methyl]cyclopropane-1-carboxamide
CID 130465529
2-methyl-3-[8-[[(2-methylpyrazole-3-carbonyl)amino]methyl]isoquinolin-5-yl]benzoic acid
CID 138503529
N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-3-phenylpyridine-4-carboxamide
CID 118916588
3-fluoro-N-[(5-phenylisoquinolin-8-yl)methyl]benzamide
CID 7439016
1-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-3-(4-methylphenyl)urea
CID 7261153
N-[(3-methylphenyl)methyl]-1-(5-phenylisoquinolin-8-yl)methanamine
CID 7356370
4-(2-hydroxyphenyl)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]benzamide
CID 118928930
N-[[5-(3-hydroxyphenyl)isoquinolin-8-yl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 118928916
1-benzyl-3-[[5-(4-methylphenyl)isoquinolin-8-yl]methyl]urea
CID 7362545
1-methyl-N-[[5-(methylcarbamoyl)furan-2-yl]methyl]-3-propylpyrazole-5-carboxamide
CID 70723882
5-bromo-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-2-phenylpyridine-3-carboxamide
CID 118916591

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[5-(3-methylphenyl)isoquinolin-8-yl]methyl]-3-propylpyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[[5-(3-methylphenyl)isoquinolin-8-yl]methyl]-3-propylpyrazole-5-carboxamide (CID 130465524) is 1-methyl-N-[[5-(3-methylphenyl)isoquinolin-8-yl]methyl]-3-propylpyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[[5-(3-methylphenyl)isoquinolin-8-yl]methyl]-3-propylpyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[[5-(3-methylphenyl)isoquinolin-8-yl]methyl]-3-propylpyrazole-5-carboxamide is CCCc1cc(C(=O)NCc2ccc(-c3cccc(C)c3)c3ccncc23)n(C)n1.
What is the InChIKey of 1-methyl-N-[[5-(3-methylphenyl)isoquinolin-8-yl]methyl]-3-propylpyrazole-5-carboxamide?
The InChIKey is ZQOOBRAAOZRLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O/c1-4-6-20-14-24(29(3)28-20)25(30)27-15-19-9-10-21(18-8-5-7-17(2)13-18)22-11-12-26-16-23(19)22/h5,7-14,16H,4,6,15H2,1-3H3,(H,27,30).
What are the key properties of 1-methyl-N-[[5-(3-methylphenyl)isoquinolin-8-yl]methyl]-3-propylpyrazole-5-carboxamide?
1-methyl-N-[[5-(3-methylphenyl)isoquinolin-8-yl]methyl]-3-propylpyrazole-5-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[5-(3-methylphenyl)isoquinolin-8-yl]methyl]-3-propylpyrazole-5-carboxamide is sourced from PubChem (CID 130465524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).