2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide

C17H25N5O4 — CID 136578251

IUPAC2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
SMILESCCC1(CC)NC(=O)N(CC(=O)Nc2cnn(CC3CCCO3)c2)C1=O
InChIInChI=1S/C17H25N5O4/c1-3-17(4-2)15(24)22(16(25)20-17)11-14(23)19-12-8-18-21(9-12)10-13-6-5-7-26-13/h8-9,13H,3-7,10-11H2,1-2H3,(H,19,23)(H,20,25)
InChIKeyRCPAVFBONPAAMU-UHFFFAOYSA-N
MW363.42 g/mol
LogP1.11
Rot. Bonds7

About 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide

2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide (PubChem CID 136578251) has the molecular formula C17H25N5O4 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
PubChem CID136578251
Molecular FormulaC17H25N5O4
Molecular Weight363.42 g/mol
Exact Mass363.19
IUPAC Name2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
SMILESCCC1(CC)NC(=O)N(CC(=O)Nc2cnn(CC3CCCO3)c2)C1=O
InChIInChI=1S/C17H25N5O4/c1-3-17(4-2)15(24)22(16(25)20-17)11-14(23)19-12-8-18-21(9-12)10-13-6-5-7-26-13/h8-9,13H,3-7,10-11H2,1-2H3,(H,19,23)(H,20,25)
InChIKeyRCPAVFBONPAAMU-UHFFFAOYSA-N
XLogP1.11
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]pentanamide
CID 121145145
N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]-2-pyrazol-1-ylacetamide
CID 129355488
2-(1-hydroxycyclopentyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 111432419
4-(methylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide
CID 60842431
2-(cyclopropylmethylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 60867277
2-(N-ethylanilino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 47070427
1-hexyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 87037443
4-amino-3-methoxy-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide
CID 103154783
2-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 121145156
2-bromo-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide
CID 107903884
2-cyclopentyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide
CID 129355562
1-(3-butoxypropyl)-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 87037539

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide?
The IUPAC name of 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide (CID 136578251) is 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide?
The canonical SMILES for 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide is CCC1(CC)NC(=O)N(CC(=O)Nc2cnn(CC3CCCO3)c2)C1=O.
What is the InChIKey of 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide?
The InChIKey is RCPAVFBONPAAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O4/c1-3-17(4-2)15(24)22(16(25)20-17)11-14(23)19-12-8-18-21(9-12)10-13-6-5-7-26-13/h8-9,13H,3-7,10-11H2,1-2H3,(H,19,23)(H,20,25).
What are the key properties of 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide?
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide has a molecular weight of 363.42 g/mol, XLogP of 1.11, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 136578251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).