5-(1-methylpyrazol-4-yl)-N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)furan-2-carboxamide;uranium(2+)

C20H18N6O2U — CID 163653306

IUPAC5-(1-methylpyrazol-4-yl)-N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)furan-2-carboxamide;uranium(2+)
SMILES[CH2-]C([CH2-])n1cc(NC(=O)c2ccc(-c3cnn(C)c3)o2)c(-c2ccccn2)n1.[U+2]
InChIInChI=1S/C20H18N6O2.U/c1-13(2)26-12-16(19(24-26)15-6-4-5-9-21-15)23-20(27)18-8-7-17(28-18)14-10-22-25(3)11-14;/h4-13H,1-2H2,3H3,(H,23,27);/q-2;+2
InChIKeyFABOCYXCUFERMJ-UHFFFAOYSA-N
MW612.43 g/mol
LogP3.40
Rot. Bonds5

About 5-(1-methylpyrazol-4-yl)-N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)furan-2-carboxamide;uranium(2+)

5-(1-methylpyrazol-4-yl)-N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)furan-2-carboxamide;uranium(2+) (PubChem CID 163653306) has the molecular formula C20H18N6O2U and a molecular weight of 612.43 g/mol. Its IUPAC name is 5-(1-methylpyrazol-4-yl)-N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)furan-2-carboxamide;uranium(2+).

Molecular Properties

Compound Name5-(1-methylpyrazol-4-yl)-N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)furan-2-carboxamide;uranium(2+)
PubChem CID163653306
Molecular FormulaC20H18N6O2U
Molecular Weight612.43 g/mol
Exact Mass612.20
IUPAC Name5-(1-methylpyrazol-4-yl)-N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)furan-2-carboxamide;uranium(2+)
SMILES[CH2-]C([CH2-])n1cc(NC(=O)c2ccc(-c3cnn(C)c3)o2)c(-c2ccccn2)n1.[U+2]
InChIInChI=1S/C20H18N6O2.U/c1-13(2)26-12-16(19(24-26)15-6-4-5-9-21-15)23-20(27)18-8-7-17(28-18)14-10-22-25(3)11-14;/h4-13H,1-2H2,3H3,(H,23,27);/q-2;+2
InChIKeyFABOCYXCUFERMJ-UHFFFAOYSA-N
XLogP3.40
TPSA90.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500612.43
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrazol-4-yl)-N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)furan-2-carboxamide;uranium(2+)?
The IUPAC name of 5-(1-methylpyrazol-4-yl)-N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)furan-2-carboxamide;uranium(2+) (CID 163653306) is 5-(1-methylpyrazol-4-yl)-N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)furan-2-carboxamide;uranium(2+).
What is the SMILES notation for 5-(1-methylpyrazol-4-yl)-N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)furan-2-carboxamide;uranium(2+)?
The canonical SMILES for 5-(1-methylpyrazol-4-yl)-N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)furan-2-carboxamide;uranium(2+) is [CH2-]C([CH2-])n1cc(NC(=O)c2ccc(-c3cnn(C)c3)o2)c(-c2ccccn2)n1.[U+2].
What is the InChIKey of 5-(1-methylpyrazol-4-yl)-N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)furan-2-carboxamide;uranium(2+)?
The InChIKey is FABOCYXCUFERMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2.U/c1-13(2)26-12-16(19(24-26)15-6-4-5-9-21-15)23-20(27)18-8-7-17(28-18)14-10-22-25(3)11-14;/h4-13H,1-2H2,3H3,(H,23,27);/q-2;+2.
What are the key properties of 5-(1-methylpyrazol-4-yl)-N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)furan-2-carboxamide;uranium(2+)?
5-(1-methylpyrazol-4-yl)-N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)furan-2-carboxamide;uranium(2+) has a molecular weight of 612.43 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrazol-4-yl)-N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)furan-2-carboxamide;uranium(2+) is sourced from PubChem (CID 163653306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).