2-(2,4-dioxoimidazolidin-1-yl)-N-(1-phenyl-2-pyrazol-1-ylethyl)acetamide

C16H17N5O3 — CID 77094542

IUPAC2-(2,4-dioxoimidazolidin-1-yl)-N-(1-phenyl-2-pyrazol-1-ylethyl)acetamide
SMILESO=C1CN(CC(=O)NC(Cn2cccn2)c2ccccc2)C(=O)N1
InChIInChI=1S/C16H17N5O3/c22-14(10-20-11-15(23)19-16(20)24)18-13(9-21-8-4-7-17-21)12-5-2-1-3-6-12/h1-8,13H,9-11H2,(H,18,22)(H,19,23,24)
InChIKeyPVBMSGPBKJQQRR-UHFFFAOYSA-N
MW327.34 g/mol
LogP0.29
Rot. Bonds6

About 2-(2,4-dioxoimidazolidin-1-yl)-N-(1-phenyl-2-pyrazol-1-ylethyl)acetamide

2-(2,4-dioxoimidazolidin-1-yl)-N-(1-phenyl-2-pyrazol-1-ylethyl)acetamide (PubChem CID 77094542) has the molecular formula C16H17N5O3 and a molecular weight of 327.34 g/mol. Its IUPAC name is 2-(2,4-dioxoimidazolidin-1-yl)-N-(1-phenyl-2-pyrazol-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxoimidazolidin-1-yl)-N-(1-phenyl-2-pyrazol-1-ylethyl)acetamide
PubChem CID77094542
Molecular FormulaC16H17N5O3
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC Name2-(2,4-dioxoimidazolidin-1-yl)-N-(1-phenyl-2-pyrazol-1-ylethyl)acetamide
SMILESO=C1CN(CC(=O)NC(Cn2cccn2)c2ccccc2)C(=O)N1
InChIInChI=1S/C16H17N5O3/c22-14(10-20-11-15(23)19-16(20)24)18-13(9-21-8-4-7-17-21)12-5-2-1-3-6-12/h1-8,13H,9-11H2,(H,18,22)(H,19,23,24)
InChIKeyPVBMSGPBKJQQRR-UHFFFAOYSA-N
XLogP0.29
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 50.29
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

2-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide
CID 99974724
3-(2-oxopyrrolidin-1-yl)-N-(1-phenyl-2-pyrazol-1-ylethyl)propanamide
CID 131919618
3-oxo-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]-2,4-dihydro-1H-quinoxaline-6-carboxamide
CID 99947261
N-(1-phenyl-2-pyrazol-1-ylethyl)prop-2-enamide
CID 166406989
2-(6-oxopyridazin-1-yl)-N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]acetamide
CID 124761044
N-(1-phenyl-2-pyrazol-1-ylethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 91775636
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]acetamide
CID 136915020
N-[(1R)-1-phenyl-2-pyrazol-1-ylethyl]-4-prop-2-enylpiperazine-1-carboxamide
CID 126432931
2-(2,4-dioxoimidazolidin-1-yl)-N-pentan-3-ylacetamide
CID 63928923
N-(1-phenyl-2-pyrazol-1-ylethyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide
CID 70756446
N-[(1R)-1-phenyl-2-pyrazol-1-ylethyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 95135581
3-(4-fluorophenyl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]-1H-pyrazole-5-carboxamide
CID 97129988

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxoimidazolidin-1-yl)-N-(1-phenyl-2-pyrazol-1-ylethyl)acetamide?
The IUPAC name of 2-(2,4-dioxoimidazolidin-1-yl)-N-(1-phenyl-2-pyrazol-1-ylethyl)acetamide (CID 77094542) is 2-(2,4-dioxoimidazolidin-1-yl)-N-(1-phenyl-2-pyrazol-1-ylethyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxoimidazolidin-1-yl)-N-(1-phenyl-2-pyrazol-1-ylethyl)acetamide?
The canonical SMILES for 2-(2,4-dioxoimidazolidin-1-yl)-N-(1-phenyl-2-pyrazol-1-ylethyl)acetamide is O=C1CN(CC(=O)NC(Cn2cccn2)c2ccccc2)C(=O)N1.
What is the InChIKey of 2-(2,4-dioxoimidazolidin-1-yl)-N-(1-phenyl-2-pyrazol-1-ylethyl)acetamide?
The InChIKey is PVBMSGPBKJQQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3/c22-14(10-20-11-15(23)19-16(20)24)18-13(9-21-8-4-7-17-21)12-5-2-1-3-6-12/h1-8,13H,9-11H2,(H,18,22)(H,19,23,24).
What are the key properties of 2-(2,4-dioxoimidazolidin-1-yl)-N-(1-phenyl-2-pyrazol-1-ylethyl)acetamide?
2-(2,4-dioxoimidazolidin-1-yl)-N-(1-phenyl-2-pyrazol-1-ylethyl)acetamide has a molecular weight of 327.34 g/mol, XLogP of 0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxoimidazolidin-1-yl)-N-(1-phenyl-2-pyrazol-1-ylethyl)acetamide is sourced from PubChem (CID 77094542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).