5-[(3-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide

C24H25ClN4O4 — CID 46077225

IUPAC5-[(3-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc3n(n2)CCN(Cc2cccc(Cl)c2)C3=O)cc1OC
InChIInChI=1S/C24H25ClN4O4/c1-32-21-7-6-16(13-22(21)33-2)8-9-26-23(30)19-14-20-24(31)28(10-11-29(20)27-19)15-17-4-3-5-18(25)12-17/h3-7,12-14H,8-11,15H2,1-2H3,(H,26,30)
InChIKeySCJXDXGDEOJKSG-UHFFFAOYSA-N
MW468.94 g/mol
LogP3.18
Rot. Bonds8

About 5-[(3-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide

5-[(3-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 46077225) has the molecular formula C24H25ClN4O4 and a molecular weight of 468.94 g/mol. Its IUPAC name is 5-[(3-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(3-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID46077225
Molecular FormulaC24H25ClN4O4
Molecular Weight468.94 g/mol
Exact Mass468.16
IUPAC Name5-[(3-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc3n(n2)CCN(Cc2cccc(Cl)c2)C3=O)cc1OC
InChIInChI=1S/C24H25ClN4O4/c1-32-21-7-6-16(13-22(21)33-2)8-9-26-23(30)19-14-20-24(31)28(10-11-29(20)27-19)15-17-4-3-5-18(25)12-17/h3-7,12-14H,8-11,15H2,1-2H3,(H,26,30)
InChIKeySCJXDXGDEOJKSG-UHFFFAOYSA-N
XLogP3.18
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.94
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of 5-[(3-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide (CID 46077225) is 5-[(3-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for 5-[(3-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for 5-[(3-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide is COc1ccc(CCNC(=O)c2cc3n(n2)CCN(Cc2cccc(Cl)c2)C3=O)cc1OC.
What is the InChIKey of 5-[(3-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is SCJXDXGDEOJKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O4/c1-32-21-7-6-16(13-22(21)33-2)8-9-26-23(30)19-14-20-24(31)28(10-11-29(20)27-19)15-17-4-3-5-18(25)12-17/h3-7,12-14H,8-11,15H2,1-2H3,(H,26,30).
What are the key properties of 5-[(3-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
5-[(3-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 468.94 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 46077225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).