N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-5-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide;methyl 3-hydroxy-5-(1-morpholin-4-yl-2-oxoethyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate

C34H39Cl2N9O11 — CID 87637237

About N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-5-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide;methyl 3-hydroxy-5-(1-morpholin-4-yl-2-oxoethyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate

N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-5-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide;methyl 3-hydroxy-5-(1-morpholin-4-yl-2-oxoethyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate (PubChem CID 87637237) has the molecular formula C34H39Cl2N9O11 and a molecular weight of 820.64 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-5-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide;methyl 3-hydroxy-5-(1-morpholin-4-yl-2-oxoethyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate.

Molecular Properties

• Compound Name: N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-5-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide;methyl 3-hydroxy-5-(1-morpholin-4-yl-2-oxoethyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate
• PubChem CID: 87637237
• Molecular Formula: C34H39Cl2N9O11
• Molecular Weight: 820.64 g/mol
• Exact Mass: 819.21
• IUPAC Name: N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-5-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide;methyl 3-hydroxy-5-(1-morpholin-4-yl-2-oxoethyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate
• SMILES: COC(=O)c1nn2c(c1O)C(=O)N(C(C=O)N1CCOCC1)CC2.O=C(NCc1ccc(Cl)c(Cl)c1)c1nn2c(c1O)C(=O)N(CC(=O)N1CCOCC1)CC2
• InChI: InChI=1S/C20H21Cl2N5O5.C14H18N4O6/c21-13-2-1-12(9-14(13)22)10-23-19(30)16-18(29)17-20(31)26(3-4-27(17)24-16)11-15(28)25-5-7-32-8-6-25;1-23-14(22)10-12(20)11-13(21)17(2-3-18(11)15-10)9(8-19)16-4-6-24-7-5-16/h1-2,9,29H,3-8,10-11H2,(H,23,30);8-9,20H,2-7H2,1H3
• InChIKey: IWJNFNYJEMSRKP-UHFFFAOYSA-N
• XLogP: -0.17
• TPSA: 231.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 9
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	820.64
LogP ≤ 5	-0.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-5-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide;methyl 3-hydroxy-5-(1-morpholin-4-yl-2-oxoethyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate?

The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-5-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide;methyl 3-hydroxy-5-(1-morpholin-4-yl-2-oxoethyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate (CID 87637237) is N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-5-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide;methyl 3-hydroxy-5-(1-morpholin-4-yl-2-oxoethyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate.

What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-5-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide;methyl 3-hydroxy-5-(1-morpholin-4-yl-2-oxoethyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate?

The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-5-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide;methyl 3-hydroxy-5-(1-morpholin-4-yl-2-oxoethyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate is COC(=O)c1nn2c(c1O)C(=O)N(C(C=O)N1CCOCC1)CC2.O=C(NCc1ccc(Cl)c(Cl)c1)c1nn2c(c1O)C(=O)N(CC(=O)N1CCOCC1)CC2.

What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-5-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide;methyl 3-hydroxy-5-(1-morpholin-4-yl-2-oxoethyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate?

The InChIKey is IWJNFNYJEMSRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N5O5.C14H18N4O6/c21-13-2-1-12(9-14(13)22)10-23-19(30)16-18(29)17-20(31)26(3-4-27(17)24-16)11-15(28)25-5-7-32-8-6-25;1-23-14(22)10-12(20)11-13(21)17(2-3-18(11)15-10)9(8-19)16-4-6-24-7-5-16/h1-2,9,29H,3-8,10-11H2,(H,23,30);8-9,20H,2-7H2,1H3.

What are the key properties of N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-5-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide;methyl 3-hydroxy-5-(1-morpholin-4-yl-2-oxoethyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate?

N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-5-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide;methyl 3-hydroxy-5-(1-morpholin-4-yl-2-oxoethyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate has a molecular weight of 820.64 g/mol, XLogP of -0.17, 9 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-5-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide;methyl 3-hydroxy-5-(1-morpholin-4-yl-2-oxoethyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate is sourced from PubChem (CID 87637237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).