5-[5-[(Z)-3-methylimino-3-pyrazol-1-ylprop-1-enyl]furan-2-yl]imidazolidine-2,4-dione

C14H13N5O3 — CID 143989957

IUPAC5-[5-[(Z)-3-methylimino-3-pyrazol-1-ylprop-1-enyl]furan-2-yl]imidazolidine-2,4-dione
SMILESC/N=C(/C=C\c1ccc(C2NC(=O)NC2=O)o1)n1cccn1
InChIInChI=1S/C14H13N5O3/c1-15-11(19-8-2-7-16-19)6-4-9-3-5-10(22-9)12-13(20)18-14(21)17-12/h2-8,12H,1H3,(H2,17,18,20,21)/b6-4-,15-11-
InChIKeyNZUKYAXFTNOREZ-BDKLRMPZSA-N
MW299.29 g/mol
LogP0.95
Rot. Bonds3

About 5-[5-[(Z)-3-methylimino-3-pyrazol-1-ylprop-1-enyl]furan-2-yl]imidazolidine-2,4-dione

5-[5-[(Z)-3-methylimino-3-pyrazol-1-ylprop-1-enyl]furan-2-yl]imidazolidine-2,4-dione (PubChem CID 143989957) has the molecular formula C14H13N5O3 and a molecular weight of 299.29 g/mol. Its IUPAC name is 5-[5-[(Z)-3-methylimino-3-pyrazol-1-ylprop-1-enyl]furan-2-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[5-[(Z)-3-methylimino-3-pyrazol-1-ylprop-1-enyl]furan-2-yl]imidazolidine-2,4-dione
PubChem CID143989957
Molecular FormulaC14H13N5O3
Molecular Weight299.29 g/mol
Exact Mass299.10
IUPAC Name5-[5-[(Z)-3-methylimino-3-pyrazol-1-ylprop-1-enyl]furan-2-yl]imidazolidine-2,4-dione
SMILESC/N=C(/C=C\c1ccc(C2NC(=O)NC2=O)o1)n1cccn1
InChIInChI=1S/C14H13N5O3/c1-15-11(19-8-2-7-16-19)6-4-9-3-5-10(22-9)12-13(20)18-14(21)17-12/h2-8,12H,1H3,(H2,17,18,20,21)/b6-4-,15-11-
InChIKeyNZUKYAXFTNOREZ-BDKLRMPZSA-N
XLogP0.95
TPSA101.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(Z)-3-methylimino-3-pyrazol-1-ylprop-1-enyl]furan-2-yl]imidazolidine-2,4-dione?
The IUPAC name of 5-[5-[(Z)-3-methylimino-3-pyrazol-1-ylprop-1-enyl]furan-2-yl]imidazolidine-2,4-dione (CID 143989957) is 5-[5-[(Z)-3-methylimino-3-pyrazol-1-ylprop-1-enyl]furan-2-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[5-[(Z)-3-methylimino-3-pyrazol-1-ylprop-1-enyl]furan-2-yl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[5-[(Z)-3-methylimino-3-pyrazol-1-ylprop-1-enyl]furan-2-yl]imidazolidine-2,4-dione is C/N=C(/C=C\c1ccc(C2NC(=O)NC2=O)o1)n1cccn1.
What is the InChIKey of 5-[5-[(Z)-3-methylimino-3-pyrazol-1-ylprop-1-enyl]furan-2-yl]imidazolidine-2,4-dione?
The InChIKey is NZUKYAXFTNOREZ-BDKLRMPZSA-N. The full InChI is InChI=1S/C14H13N5O3/c1-15-11(19-8-2-7-16-19)6-4-9-3-5-10(22-9)12-13(20)18-14(21)17-12/h2-8,12H,1H3,(H2,17,18,20,21)/b6-4-,15-11-.
What are the key properties of 5-[5-[(Z)-3-methylimino-3-pyrazol-1-ylprop-1-enyl]furan-2-yl]imidazolidine-2,4-dione?
5-[5-[(Z)-3-methylimino-3-pyrazol-1-ylprop-1-enyl]furan-2-yl]imidazolidine-2,4-dione has a molecular weight of 299.29 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(Z)-3-methylimino-3-pyrazol-1-ylprop-1-enyl]furan-2-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 143989957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).