ethyl 5-(2-methoxyacetyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

C20H25N3O4 — CID 26136993

IUPACethyl 5-(2-methoxyacetyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(CCc2ccccc2)c2c1CN(C(=O)COC)CC2
InChIInChI=1S/C20H25N3O4/c1-3-27-20(25)19-16-13-22(18(24)14-26-2)11-10-17(16)23(21-19)12-9-15-7-5-4-6-8-15/h4-8H,3,9-14H2,1-2H3
InChIKeyFHPZPDKRFCIKRV-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.83
Rot. Bonds7

About ethyl 5-(2-methoxyacetyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

ethyl 5-(2-methoxyacetyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (PubChem CID 26136993) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is ethyl 5-(2-methoxyacetyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-methoxyacetyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
PubChem CID26136993
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Nameethyl 5-(2-methoxyacetyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(CCc2ccccc2)c2c1CN(C(=O)COC)CC2
InChIInChI=1S/C20H25N3O4/c1-3-27-20(25)19-16-13-22(18(24)14-26-2)11-10-17(16)23(21-19)12-9-15-7-5-4-6-8-15/h4-8H,3,9-14H2,1-2H3
InChIKeyFHPZPDKRFCIKRV-UHFFFAOYSA-N
XLogP1.83
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 5-(2-methoxyacetyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate with MolForge

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Related Compounds

ethyl 5-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26133523
ethyl 1-(3-phenylpropyl)-5-(3-pyrazin-2-ylpropanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26134929
ethyl 5-(5-methyl-1H-imidazole-2-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26142683
ethyl 1-(3-phenylpropyl)-5-(1,2,5-thiadiazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26233523
ethyl 1-benzyl-5-(2-thiophen-2-ylacetyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26139179
ethyl 1-[2-(4-methoxyphenyl)ethyl]-5-(1,3-thiazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26230545
ethyl 1-(3-phenylpropyl)-5-[5-(trifluoromethyl)pyrazolidine-3-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 74492952
1-[2-(4-methoxyphenyl)ethyl]-5-(3-methoxypropanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 56706470
ethyl 1-(3-phenylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
CID 56703895
ethyl 1-benzyl-5-[2-(2-oxo-4-phenylpyrrolidin-1-yl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 45160016
ethyl 1-(3-methylbutyl)-5-(3-thiophen-2-ylpropanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26144037
ethyl 1-(2-hydroxyethyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 82585817

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-methoxyacetyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-(2-methoxyacetyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (CID 26136993) is ethyl 5-(2-methoxyacetyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-(2-methoxyacetyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-(2-methoxyacetyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is CCOC(=O)c1nn(CCc2ccccc2)c2c1CN(C(=O)COC)CC2.
What is the InChIKey of ethyl 5-(2-methoxyacetyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The InChIKey is FHPZPDKRFCIKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-3-27-20(25)19-16-13-22(18(24)14-26-2)11-10-17(16)23(21-19)12-9-15-7-5-4-6-8-15/h4-8H,3,9-14H2,1-2H3.
What are the key properties of ethyl 5-(2-methoxyacetyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
ethyl 5-(2-methoxyacetyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate has a molecular weight of 371.44 g/mol, XLogP of 1.83, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-methoxyacetyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 26136993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).