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

C13H19N5O3 — CID 61003628

IUPAC4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide
SMILESCc1[nH]ncc1CNC(=O)CCCN1C(=O)CN(C)C1=O
InChIInChI=1S/C13H19N5O3/c1-9-10(7-15-16-9)6-14-11(19)4-3-5-18-12(20)8-17(2)13(18)21/h7H,3-6,8H2,1-2H3,(H,14,19)(H,15,16)
InChIKeyIZZLSGYMRPWVSK-UHFFFAOYSA-N
MW293.33 g/mol
LogP0.01
Rot. Bonds6

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

4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide (PubChem CID 61003628) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide.

Molecular Properties

Compound Name4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide
PubChem CID61003628
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC Name4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide
SMILESCc1[nH]ncc1CNC(=O)CCCN1C(=O)CN(C)C1=O
InChIInChI=1S/C13H19N5O3/c1-9-10(7-15-16-9)6-14-11(19)4-3-5-18-12(20)8-17(2)13(18)21/h7H,3-6,8H2,1-2H3,(H,14,19)(H,15,16)
InChIKeyIZZLSGYMRPWVSK-UHFFFAOYSA-N
XLogP0.01
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 50.01
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-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide?
The IUPAC name of 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide (CID 61003628) is 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide.
What is the SMILES notation for 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide?
The canonical SMILES for 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide is Cc1[nH]ncc1CNC(=O)CCCN1C(=O)CN(C)C1=O.
What is the InChIKey of 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide?
The InChIKey is IZZLSGYMRPWVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3/c1-9-10(7-15-16-9)6-14-11(19)4-3-5-18-12(20)8-17(2)13(18)21/h7H,3-6,8H2,1-2H3,(H,14,19)(H,15,16).
What are the key properties of 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide?
4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide has a molecular weight of 293.33 g/mol, XLogP of 0.01, 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-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide is sourced from PubChem (CID 61003628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).