N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide

C20H25N5O3 — CID 60607141

IUPACN-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCN1CC(=O)N(CC(=O)Nc2ccnn2Cc2ccc(C(C)(C)C)cc2)C1=O
InChIInChI=1S/C20H25N5O3/c1-20(2,3)15-7-5-14(6-8-15)11-25-16(9-10-21-25)22-17(26)12-24-18(27)13-23(4)19(24)28/h5-10H,11-13H2,1-4H3,(H,22,26)
InChIKeyOFIIIGDNGUKLSX-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.06
Rot. Bonds5

About N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide

N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide (PubChem CID 60607141) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
PubChem CID60607141
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC NameN-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCN1CC(=O)N(CC(=O)Nc2ccnn2Cc2ccc(C(C)(C)C)cc2)C1=O
InChIInChI=1S/C20H25N5O3/c1-20(2,3)15-7-5-14(6-8-15)11-25-16(9-10-21-25)22-17(26)12-24-18(27)13-23(4)19(24)28/h5-10H,11-13H2,1-4H3,(H,22,26)
InChIKeyOFIIIGDNGUKLSX-UHFFFAOYSA-N
XLogP2.06
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide (CID 60607141) is N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide is CN1CC(=O)N(CC(=O)Nc2ccnn2Cc2ccc(C(C)(C)C)cc2)C1=O.
What is the InChIKey of N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The InChIKey is OFIIIGDNGUKLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-20(2,3)15-7-5-14(6-8-15)11-25-16(9-10-21-25)22-17(26)12-24-18(27)13-23(4)19(24)28/h5-10H,11-13H2,1-4H3,(H,22,26).
What are the key properties of N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 383.45 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 60607141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).