1-[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone

C18H23N3O3 — CID 118739632

IUPAC1-[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone
SMILESCCOCC1CN(C(=O)COc2ccccc2)Cc2cn(C)nc21
InChIInChI=1S/C18H23N3O3/c1-3-23-12-15-11-21(10-14-9-20(2)19-18(14)15)17(22)13-24-16-7-5-4-6-8-16/h4-9,15H,3,10-13H2,1-2H3
InChIKeyCMVLZSNECYEJJC-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.96
Rot. Bonds6

About 1-[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone

1-[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone (PubChem CID 118739632) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone
PubChem CID118739632
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name1-[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone
SMILESCCOCC1CN(C(=O)COc2ccccc2)Cc2cn(C)nc21
InChIInChI=1S/C18H23N3O3/c1-3-23-12-15-11-21(10-14-9-20(2)19-18(14)15)17(22)13-24-16-7-5-4-6-8-16/h4-9,15H,3,10-13H2,1-2H3
InChIKeyCMVLZSNECYEJJC-UHFFFAOYSA-N
XLogP1.96
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone with MolForge

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Related Compounds

2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N,N-diethylacetamide
CID 5307988
1-(4-{[[(1,3-dimethyl-1H-pyrazol-4-yl)methyl](methyl)amino]methyl}phenoxy)-3-(1-piperidinyl)-2-propanol
CID 16191452
1-[3-[4-(2-Methylpyrazol-3-yl)phenoxy]propyl]piperidine
CID 56661468
N-[[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 24791783
N-({1-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-3-piperidinyl}methyl)-2-(2-methoxyphenoxy)acetamide
CID 24793254
N-({1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-3-piperidinyl}methyl)-2-(2-methoxyphenoxy)acetamide
CID 24820102
N'-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methylene]-2-phenoxyacetohydrazide
CID 5454904
N-butyl-N-ethyl-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide
CID 9550426
N-({1-cyclopentyl-1H,4H,6H,7H-pyrano[4,3-c]pyrazol-3-yl}methyl)-2-(2-methylphenoxy)acetamide
CID 76148409
1-(cyclopropylmethyl)-7-(methoxymethyl)-6-[(4-methoxyphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
CID 118739710
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 5309010
3-[(2-Fluorophenoxy)methyl]-1-[(2-methylpyrazol-3-yl)methyl]piperidine
CID 46981141

Frequently Asked Questions

What is the IUPAC name of 1-[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone?
The IUPAC name of 1-[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone (CID 118739632) is 1-[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone is CCOCC1CN(C(=O)COc2ccccc2)Cc2cn(C)nc21.
What is the InChIKey of 1-[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone?
The InChIKey is CMVLZSNECYEJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-3-23-12-15-11-21(10-14-9-20(2)19-18(14)15)17(22)13-24-16-7-5-4-6-8-16/h4-9,15H,3,10-13H2,1-2H3.
What are the key properties of 1-[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone?
1-[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone has a molecular weight of 329.40 g/mol, XLogP of 1.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone is sourced from PubChem (CID 118739632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).