ethyl 5-(3,4-dimethoxyphenyl)-6-(3-methoxypropylcarbamoyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate

C23H30N4O7 — CID 46279285

IUPACethyl 5-(3,4-dimethoxyphenyl)-6-(3-methoxypropylcarbamoyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCCOC(=O)c1cc2n(n1)CC(C)(C(=O)NCCCOC)N(c1ccc(OC)c(OC)c1)C2=O
InChIInChI=1S/C23H30N4O7/c1-6-34-21(29)16-13-17-20(28)27(15-8-9-18(32-4)19(12-15)33-5)23(2,14-26(17)25-16)22(30)24-10-7-11-31-3/h8-9,12-13H,6-7,10-11,14H2,1-5H3,(H,24,30)
InChIKeyIVNFMQICECEBDS-UHFFFAOYSA-N
MW474.51 g/mol
LogP1.65
Rot. Bonds10

About ethyl 5-(3,4-dimethoxyphenyl)-6-(3-methoxypropylcarbamoyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate

ethyl 5-(3,4-dimethoxyphenyl)-6-(3-methoxypropylcarbamoyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate (PubChem CID 46279285) has the molecular formula C23H30N4O7 and a molecular weight of 474.51 g/mol. Its IUPAC name is ethyl 5-(3,4-dimethoxyphenyl)-6-(3-methoxypropylcarbamoyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(3,4-dimethoxyphenyl)-6-(3-methoxypropylcarbamoyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
PubChem CID46279285
Molecular FormulaC23H30N4O7
Molecular Weight474.51 g/mol
Exact Mass474.21
IUPAC Nameethyl 5-(3,4-dimethoxyphenyl)-6-(3-methoxypropylcarbamoyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCCOC(=O)c1cc2n(n1)CC(C)(C(=O)NCCCOC)N(c1ccc(OC)c(OC)c1)C2=O
InChIInChI=1S/C23H30N4O7/c1-6-34-21(29)16-13-17-20(28)27(15-8-9-18(32-4)19(12-15)33-5)23(2,14-26(17)25-16)22(30)24-10-7-11-31-3/h8-9,12-13H,6-7,10-11,14H2,1-5H3,(H,24,30)
InChIKeyIVNFMQICECEBDS-UHFFFAOYSA-N
XLogP1.65
TPSA121.22 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.51
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylpyrazole-3-carboxamide
CID 2815847
3-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)carbonyl]-1-methyl-1H-pyrazole-5-carboxylic acid
CID 3361479
5-(4-Methoxyphenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67974041
2-(((4-(Difluoromethoxy)-2-fluorophenyl)amino)methyl)-5-(3-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5h)-one
CID 118575032
(7R)-5-(4-fluorophenyl)-2-[(2-methoxyphenoxy)methyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 122190322
Ethyl 5-(4-fluorophenyl)-6-methyl-6-[(3-methylbutyl)carbamoyl]-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrazine-2-carboxylate
CID 46260959
Ethyl 5-(3-fluorophenyl)-6-[(2-methoxyethyl)carbamoyl]-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrazine-2-carboxylate
CID 46279305
Ethyl 5-(4-fluorophenyl)-6-[(2-methoxyethyl)carbamoyl]-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrazine-2-carboxylate
CID 46279306
Ethyl 6-(cycloheptylcarbamoyl)-5-[(4-methoxyphenyl)methyl]-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrazine-2-carboxylate
CID 46259257
2-(((2,2-Difluorobenzo[d][1,3]dioxol-5-yl)amino)methyl)-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5h)-one
CID 118575006
5-(3-Fluoro-5-methoxyphenyl)-2-(((4-methoxyphenyl)(methyl)amino)methyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5h)-one
CID 118575016
5-(4-Fluorophenyl)-2-(((3-methoxyphenyl)amino)methyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5h)-one
CID 118575140

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(3,4-dimethoxyphenyl)-6-(3-methoxypropylcarbamoyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The IUPAC name of ethyl 5-(3,4-dimethoxyphenyl)-6-(3-methoxypropylcarbamoyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate (CID 46279285) is ethyl 5-(3,4-dimethoxyphenyl)-6-(3-methoxypropylcarbamoyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate.
What is the SMILES notation for ethyl 5-(3,4-dimethoxyphenyl)-6-(3-methoxypropylcarbamoyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The canonical SMILES for ethyl 5-(3,4-dimethoxyphenyl)-6-(3-methoxypropylcarbamoyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate is CCOC(=O)c1cc2n(n1)CC(C)(C(=O)NCCCOC)N(c1ccc(OC)c(OC)c1)C2=O.
What is the InChIKey of ethyl 5-(3,4-dimethoxyphenyl)-6-(3-methoxypropylcarbamoyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The InChIKey is IVNFMQICECEBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O7/c1-6-34-21(29)16-13-17-20(28)27(15-8-9-18(32-4)19(12-15)33-5)23(2,14-26(17)25-16)22(30)24-10-7-11-31-3/h8-9,12-13H,6-7,10-11,14H2,1-5H3,(H,24,30).
What are the key properties of ethyl 5-(3,4-dimethoxyphenyl)-6-(3-methoxypropylcarbamoyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
ethyl 5-(3,4-dimethoxyphenyl)-6-(3-methoxypropylcarbamoyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate has a molecular weight of 474.51 g/mol, XLogP of 1.65, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(3,4-dimethoxyphenyl)-6-(3-methoxypropylcarbamoyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate is sourced from PubChem (CID 46279285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).