3-(4-methylphenyl)-N-[2-(1H-pyrazol-5-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide

C23H26N4O — CID 42592111

IUPAC3-(4-methylphenyl)-N-[2-(1H-pyrazol-5-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide
SMILESCc1ccc(CCC(=O)Nc2ccc3c(c2)CN(Cc2ccn[nH]2)CC3)cc1
InChIInChI=1S/C23H26N4O/c1-17-2-4-18(5-3-17)6-9-23(28)25-21-8-7-19-11-13-27(15-20(19)14-21)16-22-10-12-24-26-22/h2-5,7-8,10,12,14H,6,9,11,13,15-16H2,1H3,(H,24,26)(H,25,28)
InChIKeyXPRMEENWSOLNBD-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.85
Rot. Bonds6

About 3-(4-methylphenyl)-N-[2-(1H-pyrazol-5-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide

3-(4-methylphenyl)-N-[2-(1H-pyrazol-5-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide (PubChem CID 42592111) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-[2-(1H-pyrazol-5-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-[2-(1H-pyrazol-5-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide
PubChem CID42592111
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name3-(4-methylphenyl)-N-[2-(1H-pyrazol-5-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide
SMILESCc1ccc(CCC(=O)Nc2ccc3c(c2)CN(Cc2ccn[nH]2)CC3)cc1
InChIInChI=1S/C23H26N4O/c1-17-2-4-18(5-3-17)6-9-23(28)25-21-8-7-19-11-13-27(15-20(19)14-21)16-22-10-12-24-26-22/h2-5,7-8,10,12,14H,6,9,11,13,15-16H2,1H3,(H,24,26)(H,25,28)
InChIKeyXPRMEENWSOLNBD-UHFFFAOYSA-N
XLogP3.85
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(4-methylphenyl)-N-[2-(1H-pyrazol-5-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide 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

3-(4-methylphenyl)-N-[2-(pyridin-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide
CID 42292030
3-(4-methylphenyl)-N-[2-(3-methylsulfanylpropyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide
CID 26398634
3-(4-methylphenyl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propanamide
CID 119581012
N,3-bis(4-methylphenyl)propanamide
CID 19220434
3-(4-methylphenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide
CID 110303450
N-(2,3-dihydro-1H-inden-5-yl)-3-phenylpropanamide
CID 4239191
N-[2-[(2-hydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-3-(2-methoxyphenyl)propanamide
CID 42558013
4-[3-(4-methylphenyl)propanoylamino]pyridine-2-carboxylic acid
CID 63650622
N-[2-[(5-methyl-1H-pyrazol-3-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-1-phenylcyclopropane-1-carboxamide
CID 25273984
3-(4-methylphenyl)-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]propanamide
CID 110303864
N-(1H-indazol-6-yl)-3-(4-methylphenyl)propanamide
CID 36563064
3-(4-methoxyphenyl)-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)propanamide
CID 16929997

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-[2-(1H-pyrazol-5-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide?
The IUPAC name of 3-(4-methylphenyl)-N-[2-(1H-pyrazol-5-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide (CID 42592111) is 3-(4-methylphenyl)-N-[2-(1H-pyrazol-5-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-[2-(1H-pyrazol-5-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide?
The canonical SMILES for 3-(4-methylphenyl)-N-[2-(1H-pyrazol-5-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide is Cc1ccc(CCC(=O)Nc2ccc3c(c2)CN(Cc2ccn[nH]2)CC3)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-[2-(1H-pyrazol-5-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide?
The InChIKey is XPRMEENWSOLNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-17-2-4-18(5-3-17)6-9-23(28)25-21-8-7-19-11-13-27(15-20(19)14-21)16-22-10-12-24-26-22/h2-5,7-8,10,12,14H,6,9,11,13,15-16H2,1H3,(H,24,26)(H,25,28).
What are the key properties of 3-(4-methylphenyl)-N-[2-(1H-pyrazol-5-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide?
3-(4-methylphenyl)-N-[2-(1H-pyrazol-5-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide has a molecular weight of 374.49 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-[2-(1H-pyrazol-5-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide is sourced from PubChem (CID 42592111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).