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

C18H20Cl2N4O2 — CID 42875331

IUPAC5-[(3,4-dichlorophenyl)methyl]-N,N-diethyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCCN(CC)C(=O)c1cc2n(n1)CCN(Cc1ccc(Cl)c(Cl)c1)C2=O
InChIInChI=1S/C18H20Cl2N4O2/c1-3-22(4-2)17(25)15-10-16-18(26)23(7-8-24(16)21-15)11-12-5-6-13(19)14(20)9-12/h5-6,9-10H,3-4,7-8,11H2,1-2H3
InChIKeyJFDMVRAWXKNWBN-UHFFFAOYSA-N
MW395.29 g/mol
LogP3.33
Rot. Bonds5

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

5-[(3,4-dichlorophenyl)methyl]-N,N-diethyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 42875331) has the molecular formula C18H20Cl2N4O2 and a molecular weight of 395.29 g/mol. Its IUPAC name is 5-[(3,4-dichlorophenyl)methyl]-N,N-diethyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(3,4-dichlorophenyl)methyl]-N,N-diethyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID42875331
Molecular FormulaC18H20Cl2N4O2
Molecular Weight395.29 g/mol
Exact Mass394.10
IUPAC Name5-[(3,4-dichlorophenyl)methyl]-N,N-diethyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCCN(CC)C(=O)c1cc2n(n1)CCN(Cc1ccc(Cl)c(Cl)c1)C2=O
InChIInChI=1S/C18H20Cl2N4O2/c1-3-22(4-2)17(25)15-10-16-18(26)23(7-8-24(16)21-15)11-12-5-6-13(19)14(20)9-12/h5-6,9-10H,3-4,7-8,11H2,1-2H3
InChIKeyJFDMVRAWXKNWBN-UHFFFAOYSA-N
XLogP3.33
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-chlorophenyl)methyl]-N,N-diethyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 42875171
5-[(3,4-dichlorophenyl)methyl]-4-oxo-N-(2-piperidin-1-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 42875333
2-[(3,4-dichlorophenyl)methyl]-N,N-diethyl-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-6-carboxamide
CID 54705301
N,5-dibenzyl-N-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46078708
N-benzyl-N-[2-(dimethylamino)ethyl]-5-[(3-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46077290
methyl 5-[(4-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate
CID 1475682
5-[(3,4-dichlorophenyl)methyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 46169310
N-[3-(butan-2-ylamino)-3-oxopropyl]-N-ethyl-5-[(4-methylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 46049976
N-ethyl-5-[(4-methylphenyl)methyl]-4-oxo-N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 46049701
N-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
CID 55978200
5-benzyl-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 46049575
N-[3-[benzyl(methyl)amino]-3-oxopropyl]-N-ethyl-5-[(3-methylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 46049754

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dichlorophenyl)methyl]-N,N-diethyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of 5-[(3,4-dichlorophenyl)methyl]-N,N-diethyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide (CID 42875331) is 5-[(3,4-dichlorophenyl)methyl]-N,N-diethyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for 5-[(3,4-dichlorophenyl)methyl]-N,N-diethyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for 5-[(3,4-dichlorophenyl)methyl]-N,N-diethyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide is CCN(CC)C(=O)c1cc2n(n1)CCN(Cc1ccc(Cl)c(Cl)c1)C2=O.
What is the InChIKey of 5-[(3,4-dichlorophenyl)methyl]-N,N-diethyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is JFDMVRAWXKNWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N4O2/c1-3-22(4-2)17(25)15-10-16-18(26)23(7-8-24(16)21-15)11-12-5-6-13(19)14(20)9-12/h5-6,9-10H,3-4,7-8,11H2,1-2H3.
What are the key properties of 5-[(3,4-dichlorophenyl)methyl]-N,N-diethyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
5-[(3,4-dichlorophenyl)methyl]-N,N-diethyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 395.29 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dichlorophenyl)methyl]-N,N-diethyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 42875331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).