3,4-dihydro-1H-isoquinolin-2-yl-[1-(3-methylphenyl)-3-phenylpyrazol-5-yl]methanone

C26H23N3O — CID 42758347

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-[1-(3-methylphenyl)-3-phenylpyrazol-5-yl]methanone
SMILESCc1cccc(-n2nc(-c3ccccc3)cc2C(=O)N2CCc3ccccc3C2)c1
InChIInChI=1S/C26H23N3O/c1-19-8-7-13-23(16-19)29-25(17-24(27-29)21-10-3-2-4-11-21)26(30)28-15-14-20-9-5-6-12-22(20)18-28/h2-13,16-17H,14-15,18H2,1H3
InChIKeyYFIFPXWAZPLXQL-UHFFFAOYSA-N
MW393.49 g/mol
LogP5.05
Rot. Bonds3

About 3,4-dihydro-1H-isoquinolin-2-yl-[1-(3-methylphenyl)-3-phenylpyrazol-5-yl]methanone

3,4-dihydro-1H-isoquinolin-2-yl-[1-(3-methylphenyl)-3-phenylpyrazol-5-yl]methanone (PubChem CID 42758347) has the molecular formula C26H23N3O and a molecular weight of 393.49 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-[1-(3-methylphenyl)-3-phenylpyrazol-5-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-[1-(3-methylphenyl)-3-phenylpyrazol-5-yl]methanone
PubChem CID42758347
Molecular FormulaC26H23N3O
Molecular Weight393.49 g/mol
Exact Mass393.18
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-[1-(3-methylphenyl)-3-phenylpyrazol-5-yl]methanone
SMILESCc1cccc(-n2nc(-c3ccccc3)cc2C(=O)N2CCc3ccccc3C2)c1
InChIInChI=1S/C26H23N3O/c1-19-8-7-13-23(16-19)29-25(17-24(27-29)21-10-3-2-4-11-21)26(30)28-15-14-20-9-5-6-12-22(20)18-28/h2-13,16-17H,14-15,18H2,1H3
InChIKeyYFIFPXWAZPLXQL-UHFFFAOYSA-N
XLogP5.05
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.49
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,4-dihydro-1H-isoquinolin-2-yl-[1-(3-methylphenyl)-3-phenylpyrazol-5-yl]methanone 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

[1-(3-methylphenyl)-3-phenylpyrazol-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 3632123
[1-(2-chlorophenyl)-3-(3,4-dimethylphenyl)pyrazol-5-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 3403383
[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]-piperidin-1-ylmethanone
CID 811995
1-(3-methylphenyl)-3-phenyl-N-propan-2-ylpyrazole-5-carboxamide
CID 42758329
N,N-diethyl-1-(3-methylphenyl)-3-phenylpyrazole-5-carboxamide
CID 42758335
3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxylic acid
CID 812159
3,4-dihydro-1H-isoquinolin-2-yl-[1-(2,4-dimethylphenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]methanone
CID 3884650
N-(3-methylbutan-2-yl)-1-(3-methylphenyl)-3-phenylpyrazole-5-carboxamide
CID 3975682
1-(3-methylphenyl)-3-pyridin-3-ylpyrazole-5-carboxylic acid
CID 2381730
[3-(4-methoxyphenyl)-1-(3-methylphenyl)pyrazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 3919711
[3-(2-fluorophenyl)-1-(3-methylphenyl)pyrazol-5-yl]-pyrrolidin-1-ylmethanone
CID 42759128
3,4-dihydro-1H-isoquinolin-2-yl-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]methanone
CID 42758731

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[1-(3-methylphenyl)-3-phenylpyrazol-5-yl]methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[1-(3-methylphenyl)-3-phenylpyrazol-5-yl]methanone (CID 42758347) is 3,4-dihydro-1H-isoquinolin-2-yl-[1-(3-methylphenyl)-3-phenylpyrazol-5-yl]methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-[1-(3-methylphenyl)-3-phenylpyrazol-5-yl]methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-[1-(3-methylphenyl)-3-phenylpyrazol-5-yl]methanone is Cc1cccc(-n2nc(-c3ccccc3)cc2C(=O)N2CCc3ccccc3C2)c1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-[1-(3-methylphenyl)-3-phenylpyrazol-5-yl]methanone?
The InChIKey is YFIFPXWAZPLXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O/c1-19-8-7-13-23(16-19)29-25(17-24(27-29)21-10-3-2-4-11-21)26(30)28-15-14-20-9-5-6-12-22(20)18-28/h2-13,16-17H,14-15,18H2,1H3.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-[1-(3-methylphenyl)-3-phenylpyrazol-5-yl]methanone?
3,4-dihydro-1H-isoquinolin-2-yl-[1-(3-methylphenyl)-3-phenylpyrazol-5-yl]methanone has a molecular weight of 393.49 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinolin-2-yl-[1-(3-methylphenyl)-3-phenylpyrazol-5-yl]methanone is sourced from PubChem (CID 42758347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).