2-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide

C32H36N4O4 — CID 44588774

IUPAC2-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
SMILESCc1ccc(-n2nc(C(C)(C)C)cc2C(=O)C(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1
InChIInChI=1S/C32H36N4O4/c1-22-9-11-23(12-10-22)36-27(21-29(34-36)32(2,3)4)30(37)31(38)33-26-13-14-28(25-8-6-5-7-24(25)26)40-20-17-35-15-18-39-19-16-35/h5-14,21H,15-20H2,1-4H3,(H,33,38)
InChIKeyVPFUNTJCSGLRSW-UHFFFAOYSA-N
MW540.66 g/mol
LogP5.16
Rot. Bonds8

About 2-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide

2-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide (PubChem CID 44588774) has the molecular formula C32H36N4O4 and a molecular weight of 540.66 g/mol. Its IUPAC name is 2-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
PubChem CID44588774
Molecular FormulaC32H36N4O4
Molecular Weight540.66 g/mol
Exact Mass540.27
IUPAC Name2-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
SMILESCc1ccc(-n2nc(C(C)(C)C)cc2C(=O)C(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1
InChIInChI=1S/C32H36N4O4/c1-22-9-11-23(12-10-22)36-27(21-29(34-36)32(2,3)4)30(37)31(38)33-26-13-14-28(25-8-6-5-7-24(25)26)40-20-17-35-15-18-39-19-16-35/h5-14,21H,15-20H2,1-4H3,(H,33,38)
InChIKeyVPFUNTJCSGLRSW-UHFFFAOYSA-N
XLogP5.16
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.66
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

n-(5-Tert-butyl-2-p-tolyl-2h-pyrazol-3-yl)-2-[4-(2-morpholin-4-yl-ethoxy)-naphthalen-1-yl]-2-oxo-acetamide
CID 11376142
N-[3-tert-butyl-1-(3,4-dimethylphenyl)pyrazol-5-yl]-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
CID 44453730
N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
CID 44453946
2-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
CID 44588750
2-[3-tert-butyl-1-(3,4-difluorophenyl)pyrazol-5-yl]-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
CID 44588775
2-(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)-N-(4-(2-morpholinoethoxy)naphthalen-1-yl)-2-oxoacetamide
CID 44588777
(2Z)-2-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-2-hydroxyimino-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetamide
CID 135899462
BIRB-796 derivative, 12
CID 70701954
5-(3-tert-Butyl-5-{3-[4-(2-morpholin-4-yl-ethoxy)-naphthalen-1-yl]-ureido}-pyrazol-1-yl)-2-methyl-benzoic acid
CID 44335633
N,N-dibutyl-1-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-phenacyloxyphenyl]-5-methylpyrazole-3-carboxamide
CID 44570093
N,N-dibutyl-5-methyl-1-(4-(2-phenoxyacetamido)-2-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)phenyl)-1H-pyrazole-3-carboxamide
CID 44570096
N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
CID 44453729

Frequently Asked Questions

What is the IUPAC name of 2-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide?
The IUPAC name of 2-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide (CID 44588774) is 2-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide.
What is the SMILES notation for 2-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide?
The canonical SMILES for 2-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide is Cc1ccc(-n2nc(C(C)(C)C)cc2C(=O)C(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1.
What is the InChIKey of 2-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide?
The InChIKey is VPFUNTJCSGLRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N4O4/c1-22-9-11-23(12-10-22)36-27(21-29(34-36)32(2,3)4)30(37)31(38)33-26-13-14-28(25-8-6-5-7-24(25)26)40-20-17-35-15-18-39-19-16-35/h5-14,21H,15-20H2,1-4H3,(H,33,38).
What are the key properties of 2-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide?
2-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide has a molecular weight of 540.66 g/mol, XLogP of 5.16, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide is sourced from PubChem (CID 44588774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).