N-[(2-chlorophenyl)methyl]-2-[2-(4-ethoxyphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]acetamide

C23H25ClN4O3 — CID 73340784

IUPACN-[(2-chlorophenyl)methyl]-2-[2-(4-ethoxyphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]acetamide
SMILESCCOc1ccc(C2CC3C(=O)N(CC(=O)NCc4ccccc4Cl)C=CN3N2)cc1
InChIInChI=1S/C23H25ClN4O3/c1-2-31-18-9-7-16(8-10-18)20-13-21-23(30)27(11-12-28(21)26-20)15-22(29)25-14-17-5-3-4-6-19(17)24/h3-12,20-21,26H,2,13-15H2,1H3,(H,25,29)
InChIKeyPWDFYXSZEZSCMV-UHFFFAOYSA-N
MW440.93 g/mol
LogP2.99
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-2-[2-(4-ethoxyphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]acetamide

N-[(2-chlorophenyl)methyl]-2-[2-(4-ethoxyphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]acetamide (PubChem CID 73340784) has the molecular formula C23H25ClN4O3 and a molecular weight of 440.93 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[2-(4-ethoxyphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[2-(4-ethoxyphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]acetamide
PubChem CID73340784
Molecular FormulaC23H25ClN4O3
Molecular Weight440.93 g/mol
Exact Mass440.16
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[2-(4-ethoxyphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]acetamide
SMILESCCOc1ccc(C2CC3C(=O)N(CC(=O)NCc4ccccc4Cl)C=CN3N2)cc1
InChIInChI=1S/C23H25ClN4O3/c1-2-31-18-9-7-16(8-10-18)20-13-21-23(30)27(11-12-28(21)26-20)15-22(29)25-14-17-5-3-4-6-19(17)24/h3-12,20-21,26H,2,13-15H2,1H3,(H,25,29)
InChIKeyPWDFYXSZEZSCMV-UHFFFAOYSA-N
XLogP2.99
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.93
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-butoxyphenyl)-5-[(2-chlorophenyl)methyl]-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one
CID 156590422
N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(4-ethoxyphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 73340788
2-[2-(4-ethoxyphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]-N-(4-phenoxyphenyl)acetamide
CID 73340774
N-[(2-chlorophenyl)methyl]-2-(4-ethoxyphenoxy)acetamide
CID 7639773
N-[(2-chlorophenyl)methyl]-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide
CID 75234440
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 4-ethoxybenzoate
CID 8580848
N-[(2-chlorophenyl)methyl]-2-[3-[(4-ethoxyphenyl)methyl]-2,4-dioxo-4a,7a-dihydrothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 75256180
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(4-methylphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 73340714
N-[(2-chlorophenyl)methyl]-2-(2-ethylpiperidin-1-yl)acetamide
CID 108998036
N-[(2-chlorophenyl)methyl]-2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetamide
CID 98367184
N-[(2-chlorophenyl)methyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
CID 7190221
ethyl 3-[(2-chlorophenyl)methylamino]-3-oxopropanoate
CID 23404876

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[2-(4-ethoxyphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[2-(4-ethoxyphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]acetamide (CID 73340784) is N-[(2-chlorophenyl)methyl]-2-[2-(4-ethoxyphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[2-(4-ethoxyphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[2-(4-ethoxyphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]acetamide is CCOc1ccc(C2CC3C(=O)N(CC(=O)NCc4ccccc4Cl)C=CN3N2)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[2-(4-ethoxyphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]acetamide?
The InChIKey is PWDFYXSZEZSCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O3/c1-2-31-18-9-7-16(8-10-18)20-13-21-23(30)27(11-12-28(21)26-20)15-22(29)25-14-17-5-3-4-6-19(17)24/h3-12,20-21,26H,2,13-15H2,1H3,(H,25,29).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[2-(4-ethoxyphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]acetamide?
N-[(2-chlorophenyl)methyl]-2-[2-(4-ethoxyphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]acetamide has a molecular weight of 440.93 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-[2-(4-ethoxyphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]acetamide is sourced from PubChem (CID 73340784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).