3-(2-methoxyphenyl)-N-[2-(3-pyrazol-1-ylpropyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide

C25H30N4O2 — CID 24818848

IUPAC3-(2-methoxyphenyl)-N-[2-(3-pyrazol-1-ylpropyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide
SMILESCOc1ccccc1CCC(=O)Nc1ccc2c(c1)CN(CCCn1cccn1)CC2
InChIInChI=1S/C25H30N4O2/c1-31-24-7-3-2-6-21(24)9-11-25(30)27-23-10-8-20-12-17-28(19-22(20)18-23)14-5-16-29-15-4-13-26-29/h2-4,6-8,10,13,15,18H,5,9,11-12,14,16-17,19H2,1H3,(H,27,30)
InChIKeyGZOVJLNGGGJKPT-UHFFFAOYSA-N
MW418.54 g/mol
LogP3.91
Rot. Bonds9

About 3-(2-methoxyphenyl)-N-[2-(3-pyrazol-1-ylpropyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide

3-(2-methoxyphenyl)-N-[2-(3-pyrazol-1-ylpropyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide (PubChem CID 24818848) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-[2-(3-pyrazol-1-ylpropyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-[2-(3-pyrazol-1-ylpropyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide
PubChem CID24818848
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name3-(2-methoxyphenyl)-N-[2-(3-pyrazol-1-ylpropyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide
SMILESCOc1ccccc1CCC(=O)Nc1ccc2c(c1)CN(CCCn1cccn1)CC2
InChIInChI=1S/C25H30N4O2/c1-31-24-7-3-2-6-21(24)9-11-25(30)27-23-10-8-20-12-17-28(19-22(20)18-23)14-5-16-29-15-4-13-26-29/h2-4,6-8,10,13,15,18H,5,9,11-12,14,16-17,19H2,1H3,(H,27,30)
InChIKeyGZOVJLNGGGJKPT-UHFFFAOYSA-N
XLogP3.91
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-(1H-pyrazol-4-yl)phenyl)chroman-3-carboxamide
CID 25154768
N-(3'-methoxy-4-biphenylyl)-1-[3-(1H-pyrazol-1-yl)propyl]-3-piperidinecarboxamide
CID 24790065
N-(3'-methoxy-4-biphenylyl)-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-3-piperidinecarboxamide
CID 24817668
1-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-N-(3'-methoxy-4-biphenylyl)-3-piperidinecarboxamide
CID 24818983
1-(4-methoxybenzyl)-N-[3-(1H-pyrazol-1-yl)phenyl]-3-piperidinecarboxamide
CID 24819389
1-(2-ethoxybenzyl)-N-[3-(1H-pyrazol-1-yl)phenyl]-3-piperidinecarboxamide
CID 24819456
(R)-N-(4-(1H-Pyrazol-4-yl)phenyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 46900762
4-methoxy-N-[4-methyl-3-(4-pyridin-3-ylpyrazol-1-yl)phenyl]benzamide
CID 122183745
2-(4-Fluoro-phenyl)-n-[3-(2-methyl-2h-pyrazol-3-yl)-4-(2-morpholin-4-yl-ethoxy)-phenyl]-acetamide
CID 155921788
1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N-(3'-methoxy-3-biphenylyl)-4-piperidinecarboxamide
CID 24790359
3,4-dihydro-1H-isoquinolin-2-yl-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone
CID 9466191
1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-[2-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide
CID 45223242

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-[2-(3-pyrazol-1-ylpropyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide?
The IUPAC name of 3-(2-methoxyphenyl)-N-[2-(3-pyrazol-1-ylpropyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide (CID 24818848) is 3-(2-methoxyphenyl)-N-[2-(3-pyrazol-1-ylpropyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-[2-(3-pyrazol-1-ylpropyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide?
The canonical SMILES for 3-(2-methoxyphenyl)-N-[2-(3-pyrazol-1-ylpropyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide is COc1ccccc1CCC(=O)Nc1ccc2c(c1)CN(CCCn1cccn1)CC2.
What is the InChIKey of 3-(2-methoxyphenyl)-N-[2-(3-pyrazol-1-ylpropyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide?
The InChIKey is GZOVJLNGGGJKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-31-24-7-3-2-6-21(24)9-11-25(30)27-23-10-8-20-12-17-28(19-22(20)18-23)14-5-16-29-15-4-13-26-29/h2-4,6-8,10,13,15,18H,5,9,11-12,14,16-17,19H2,1H3,(H,27,30).
What are the key properties of 3-(2-methoxyphenyl)-N-[2-(3-pyrazol-1-ylpropyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide?
3-(2-methoxyphenyl)-N-[2-(3-pyrazol-1-ylpropyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide has a molecular weight of 418.54 g/mol, XLogP of 3.91, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-[2-(3-pyrazol-1-ylpropyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide is sourced from PubChem (CID 24818848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).