N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)acetamide

C26H27N5O3 — CID 55327241

IUPACN-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)acetamide
SMILESCc1ccc(-n2nc(C)c(NC(=O)CN3C(=O)NC4(CCc5ccccc5C4)C3=O)c2C)cc1
InChIInChI=1S/C26H27N5O3/c1-16-8-10-21(11-9-16)31-18(3)23(17(2)29-31)27-22(32)15-30-24(33)26(28-25(30)34)13-12-19-6-4-5-7-20(19)14-26/h4-11H,12-15H2,1-3H3,(H,27,32)(H,28,34)
InChIKeyXQQLXELMWZNRDZ-UHFFFAOYSA-N
MW457.53 g/mol
LogP3.22
Rot. Bonds4

About N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)acetamide

N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)acetamide (PubChem CID 55327241) has the molecular formula C26H27N5O3 and a molecular weight of 457.53 g/mol. Its IUPAC name is N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)acetamide.

Molecular Properties

Compound NameN-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)acetamide
PubChem CID55327241
Molecular FormulaC26H27N5O3
Molecular Weight457.53 g/mol
Exact Mass457.21
IUPAC NameN-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)acetamide
SMILESCc1ccc(-n2nc(C)c(NC(=O)CN3C(=O)NC4(CCc5ccccc5C4)C3=O)c2C)cc1
InChIInChI=1S/C26H27N5O3/c1-16-8-10-21(11-9-16)31-18(3)23(17(2)29-31)27-22(32)15-30-24(33)26(28-25(30)34)13-12-19-6-4-5-7-20(19)14-26/h4-11H,12-15H2,1-3H3,(H,27,32)(H,28,34)
InChIKeyXQQLXELMWZNRDZ-UHFFFAOYSA-N
XLogP3.22
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dichlorophenyl)-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)acetamide
CID 112774177
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)acetamide
CID 55354818
2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-(4-fluorophenyl)acetamide
CID 3662145
2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-prop-2-enylacetamide
CID 84601367
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetamide
CID 41105061
2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 55327375
2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-propylacetamide
CID 84601373
2-[(3R)-2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl]-N-naphthalen-1-ylacetamide
CID 2364607
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
CID 38846218
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[(3S)-2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl]acetamide
CID 2483041
methyl 3-[[2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)acetyl]amino]-4-methylbenzoate
CID 55304605
2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 55840386

Frequently Asked Questions

What is the IUPAC name of N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)acetamide?
The IUPAC name of N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)acetamide (CID 55327241) is N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)acetamide.
What is the SMILES notation for N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)acetamide?
The canonical SMILES for N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)acetamide is Cc1ccc(-n2nc(C)c(NC(=O)CN3C(=O)NC4(CCc5ccccc5C4)C3=O)c2C)cc1.
What is the InChIKey of N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)acetamide?
The InChIKey is XQQLXELMWZNRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3/c1-16-8-10-21(11-9-16)31-18(3)23(17(2)29-31)27-22(32)15-30-24(33)26(28-25(30)34)13-12-19-6-4-5-7-20(19)14-26/h4-11H,12-15H2,1-3H3,(H,27,32)(H,28,34).
What are the key properties of N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)acetamide?
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)acetamide has a molecular weight of 457.53 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)acetamide is sourced from PubChem (CID 55327241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).