N-(4-ethoxyphenyl)-2-[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]-2-oxoacetamide

C20H19N3O4 — CID 98131505

IUPACN-(4-ethoxyphenyl)-2-[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]-2-oxoacetamide
SMILESCCOc1ccc(NC(=O)C(=O)[C@H]2C(=O)N(c3ccccc3)N=C2C)cc1
InChIInChI=1S/C20H19N3O4/c1-3-27-16-11-9-14(10-12-16)21-19(25)18(24)17-13(2)22-23(20(17)26)15-7-5-4-6-8-15/h4-12,17H,3H2,1-2H3,(H,21,25)/t17-/m0/s1
InChIKeyRCHNHGUXMZHGIG-KRWDZBQOSA-N
MW365.39 g/mol
LogP2.63
Rot. Bonds6

About N-(4-ethoxyphenyl)-2-[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]-2-oxoacetamide

N-(4-ethoxyphenyl)-2-[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]-2-oxoacetamide (PubChem CID 98131505) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]-2-oxoacetamide
PubChem CID98131505
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC NameN-(4-ethoxyphenyl)-2-[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]-2-oxoacetamide
SMILESCCOc1ccc(NC(=O)C(=O)[C@H]2C(=O)N(c3ccccc3)N=C2C)cc1
InChIInChI=1S/C20H19N3O4/c1-3-27-16-11-9-14(10-12-16)21-19(25)18(24)17-13(2)22-23(20(17)26)15-7-5-4-6-8-15/h4-12,17H,3H2,1-2H3,(H,21,25)/t17-/m0/s1
InChIKeyRCHNHGUXMZHGIG-KRWDZBQOSA-N
XLogP2.63
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[(4R)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide
CID 124632165
(4S)-4-butanoyl-5-methyl-2-phenyl-4H-pyrazol-3-one
CID 124577603
(4R)-4-butanoyl-5-methyl-2-phenyl-4H-pyrazol-3-one
CID 124577604
N'-(4-ethoxyphenyl)-N-(4-methylphenyl)oxamide
CID 44995934
N-(4-anilinophenyl)-N'-(4-ethoxyphenyl)oxamide
CID 108514453
4-[(4-ethoxyphenyl)iminomethyl]-5-methyl-2-phenyl-4H-pyrazol-3-one
CID 3796701
N-(4-ethoxyphenyl)-2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 4104794
N-(5-ethylthiophen-2-yl)-3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carboxamide
CID 139443009
4-hexadecanoyl-5-methyl-2-phenyl-4H-pyrazol-3-one
CID 5013473
2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 1243819
1-(4-ethoxyphenyl)-3-(3-oxo-4-phenylpyrazin-2-yl)urea
CID 53118323
ethyl 2-(4-ethoxyanilino)-2-oxoacetate
CID 2204010

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]-2-oxoacetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]-2-oxoacetamide (CID 98131505) is N-(4-ethoxyphenyl)-2-[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]-2-oxoacetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]-2-oxoacetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]-2-oxoacetamide is CCOc1ccc(NC(=O)C(=O)[C@H]2C(=O)N(c3ccccc3)N=C2C)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]-2-oxoacetamide?
The InChIKey is RCHNHGUXMZHGIG-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-3-27-16-11-9-14(10-12-16)21-19(25)18(24)17-13(2)22-23(20(17)26)15-7-5-4-6-8-15/h4-12,17H,3H2,1-2H3,(H,21,25)/t17-/m0/s1.
What are the key properties of N-(4-ethoxyphenyl)-2-[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]-2-oxoacetamide?
N-(4-ethoxyphenyl)-2-[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]-2-oxoacetamide has a molecular weight of 365.39 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]-2-oxoacetamide is sourced from PubChem (CID 98131505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).