N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2,5-dioxoimidazolidin-1-yl)phenyl]propanamide

C18H19N5O3 — CID 5330960

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2,5-dioxoimidazolidin-1-yl)phenyl]propanamide
SMILESCC(C(=O)Nc1cc(C2CC2)[nH]n1)c1ccc(N2C(=O)CNC2=O)cc1
InChIInChI=1S/C18H19N5O3/c1-10(17(25)20-15-8-14(21-22-15)12-2-3-12)11-4-6-13(7-5-11)23-16(24)9-19-18(23)26/h4-8,10,12H,2-3,9H2,1H3,(H,19,26)(H2,20,21,22,25)
InChIKeyXFFCUJYCBFPUOA-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.09
Rot. Bonds5

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2,5-dioxoimidazolidin-1-yl)phenyl]propanamide

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2,5-dioxoimidazolidin-1-yl)phenyl]propanamide (PubChem CID 5330960) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2,5-dioxoimidazolidin-1-yl)phenyl]propanamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2,5-dioxoimidazolidin-1-yl)phenyl]propanamide
PubChem CID5330960
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2,5-dioxoimidazolidin-1-yl)phenyl]propanamide
SMILESCC(C(=O)Nc1cc(C2CC2)[nH]n1)c1ccc(N2C(=O)CNC2=O)cc1
InChIInChI=1S/C18H19N5O3/c1-10(17(25)20-15-8-14(21-22-15)12-2-3-12)11-4-6-13(7-5-11)23-16(24)9-19-18(23)26/h4-8,10,12H,2-3,9H2,1H3,(H,19,26)(H2,20,21,22,25)
InChIKeyXFFCUJYCBFPUOA-UHFFFAOYSA-N
XLogP2.09
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.09
H-Bond Donors ≤ 53
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 N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2,5-dioxoimidazolidin-1-yl)phenyl]propanamide?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2,5-dioxoimidazolidin-1-yl)phenyl]propanamide (CID 5330960) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2,5-dioxoimidazolidin-1-yl)phenyl]propanamide.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2,5-dioxoimidazolidin-1-yl)phenyl]propanamide?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2,5-dioxoimidazolidin-1-yl)phenyl]propanamide is CC(C(=O)Nc1cc(C2CC2)[nH]n1)c1ccc(N2C(=O)CNC2=O)cc1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2,5-dioxoimidazolidin-1-yl)phenyl]propanamide?
The InChIKey is XFFCUJYCBFPUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-10(17(25)20-15-8-14(21-22-15)12-2-3-12)11-4-6-13(7-5-11)23-16(24)9-19-18(23)26/h4-8,10,12H,2-3,9H2,1H3,(H,19,26)(H2,20,21,22,25).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2,5-dioxoimidazolidin-1-yl)phenyl]propanamide?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2,5-dioxoimidazolidin-1-yl)phenyl]propanamide has a molecular weight of 353.38 g/mol, XLogP of 2.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2,5-dioxoimidazolidin-1-yl)phenyl]propanamide is sourced from PubChem (CID 5330960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).