4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)butanamide

C12H17N5O3 — CID 60999683

IUPAC4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)butanamide
SMILESCN1CC(=O)N(CCCC(=O)NCc2cn[nH]c2)C1=O
InChIInChI=1S/C12H17N5O3/c1-16-8-11(19)17(12(16)20)4-2-3-10(18)13-5-9-6-14-15-7-9/h6-7H,2-5,8H2,1H3,(H,13,18)(H,14,15)
InChIKeyVOPXSAHFXZTVOL-UHFFFAOYSA-N
MW279.30 g/mol
LogP-0.30
Rot. Bonds6

About 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)butanamide

4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)butanamide (PubChem CID 60999683) has the molecular formula C12H17N5O3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)butanamide
PubChem CID60999683
Molecular FormulaC12H17N5O3
Molecular Weight279.30 g/mol
Exact Mass279.13
IUPAC Name4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)butanamide
SMILESCN1CC(=O)N(CCCC(=O)NCc2cn[nH]c2)C1=O
InChIInChI=1S/C12H17N5O3/c1-16-8-11(19)17(12(16)20)4-2-3-10(18)13-5-9-6-14-15-7-9/h6-7H,2-5,8H2,1H3,(H,13,18)(H,14,15)
InChIKeyVOPXSAHFXZTVOL-UHFFFAOYSA-N
XLogP-0.30
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)butanamide?
The IUPAC name of 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)butanamide (CID 60999683) is 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)butanamide.
What is the SMILES notation for 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)butanamide?
The canonical SMILES for 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)butanamide is CN1CC(=O)N(CCCC(=O)NCc2cn[nH]c2)C1=O.
What is the InChIKey of 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)butanamide?
The InChIKey is VOPXSAHFXZTVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O3/c1-16-8-11(19)17(12(16)20)4-2-3-10(18)13-5-9-6-14-15-7-9/h6-7H,2-5,8H2,1H3,(H,13,18)(H,14,15).
What are the key properties of 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)butanamide?
4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)butanamide has a molecular weight of 279.30 g/mol, XLogP of -0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)butanamide is sourced from PubChem (CID 60999683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).