N-(1-ethyl-3-methylpyrazol-4-yl)-2-[1-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetamide

C24H28N4O2 — CID 46976978

IUPACN-(1-ethyl-3-methylpyrazol-4-yl)-2-[1-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetamide
SMILESCCn1cc(NC(=O)CN2CCc3ccccc3C2c2cccc(OC)c2)c(C)n1
InChIInChI=1S/C24H28N4O2/c1-4-28-15-22(17(2)26-28)25-23(29)16-27-13-12-18-8-5-6-11-21(18)24(27)19-9-7-10-20(14-19)30-3/h5-11,14-15,24H,4,12-13,16H2,1-3H3,(H,25,29)
InChIKeyNXUHHMAWZFKULM-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.81
Rot. Bonds6

About N-(1-ethyl-3-methylpyrazol-4-yl)-2-[1-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetamide

N-(1-ethyl-3-methylpyrazol-4-yl)-2-[1-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetamide (PubChem CID 46976978) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-(1-ethyl-3-methylpyrazol-4-yl)-2-[1-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetamide.

Molecular Properties

Compound NameN-(1-ethyl-3-methylpyrazol-4-yl)-2-[1-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetamide
PubChem CID46976978
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC NameN-(1-ethyl-3-methylpyrazol-4-yl)-2-[1-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetamide
SMILESCCn1cc(NC(=O)CN2CCc3ccccc3C2c2cccc(OC)c2)c(C)n1
InChIInChI=1S/C24H28N4O2/c1-4-28-15-22(17(2)26-28)25-23(29)16-27-13-12-18-8-5-6-11-21(18)24(27)19-9-7-10-20(14-19)30-3/h5-11,14-15,24H,4,12-13,16H2,1-3H3,(H,25,29)
InChIKeyNXUHHMAWZFKULM-UHFFFAOYSA-N
XLogP3.81
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-ethyl-3-methylpyrazol-4-yl)-2-[(1R)-1-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetamide
CID 92626491
1-[2-[[1-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]phenyl]-2-methylpropan-1-one
CID 141355322
2-[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-N-(2-fluorophenyl)acetamide
CID 9288667
2-[2-(3-methoxyphenyl)azetidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 91834753
(1S)-N-[(3-methoxyphenyl)methyl]-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 168865360
1-ethyl-N-(3-methoxyphenyl)-3-methylpyrazole-4-carboxamide
CID 19474230
methyl (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 67079072
4-benzyl-2-[(1S)-1-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidine-5-carboxylic acid
CID 129455847
methyl 2-(3-methoxyphenyl)-3-oxopyrrolidine-1-carboxylate
CID 11482053
ethyl 7-methoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 110289304
N-[2-(difluoromethoxy)phenyl]-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 51313371
2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-(2,5-dimethoxyphenyl)acetamide
CID 55414232

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-3-methylpyrazol-4-yl)-2-[1-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetamide?
The IUPAC name of N-(1-ethyl-3-methylpyrazol-4-yl)-2-[1-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetamide (CID 46976978) is N-(1-ethyl-3-methylpyrazol-4-yl)-2-[1-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetamide.
What is the SMILES notation for N-(1-ethyl-3-methylpyrazol-4-yl)-2-[1-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetamide?
The canonical SMILES for N-(1-ethyl-3-methylpyrazol-4-yl)-2-[1-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetamide is CCn1cc(NC(=O)CN2CCc3ccccc3C2c2cccc(OC)c2)c(C)n1.
What is the InChIKey of N-(1-ethyl-3-methylpyrazol-4-yl)-2-[1-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetamide?
The InChIKey is NXUHHMAWZFKULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-4-28-15-22(17(2)26-28)25-23(29)16-27-13-12-18-8-5-6-11-21(18)24(27)19-9-7-10-20(14-19)30-3/h5-11,14-15,24H,4,12-13,16H2,1-3H3,(H,25,29).
What are the key properties of N-(1-ethyl-3-methylpyrazol-4-yl)-2-[1-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetamide?
N-(1-ethyl-3-methylpyrazol-4-yl)-2-[1-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetamide has a molecular weight of 404.51 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-3-methylpyrazol-4-yl)-2-[1-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetamide is sourced from PubChem (CID 46976978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).