methanamine;1-(3-nitrofuran-2-yl)pyrazole

C8H10N4O3 — CID 70620262

IUPACmethanamine;1-(3-nitrofuran-2-yl)pyrazole
SMILESCN.O=[N+]([O-])c1ccoc1-n1cccn1
InChIInChI=1S/C7H5N3O3.CH5N/c11-10(12)6-2-5-13-7(6)9-4-1-3-8-9;1-2/h1-5H;2H2,1H3
InChIKeyQVCIFNMZZUBVFK-UHFFFAOYSA-N
MW210.19 g/mol
LogP0.95
Rot. Bonds2

About methanamine;1-(3-nitrofuran-2-yl)pyrazole

methanamine;1-(3-nitrofuran-2-yl)pyrazole (PubChem CID 70620262) has the molecular formula C8H10N4O3 and a molecular weight of 210.19 g/mol. Its IUPAC name is methanamine;1-(3-nitrofuran-2-yl)pyrazole.

Molecular Properties

Compound Namemethanamine;1-(3-nitrofuran-2-yl)pyrazole
PubChem CID70620262
Molecular FormulaC8H10N4O3
Molecular Weight210.19 g/mol
Exact Mass210.08
IUPAC Namemethanamine;1-(3-nitrofuran-2-yl)pyrazole
SMILESCN.O=[N+]([O-])c1ccoc1-n1cccn1
InChIInChI=1S/C7H5N3O3.CH5N/c11-10(12)6-2-5-13-7(6)9-4-1-3-8-9;1-2/h1-5H;2H2,1H3
InChIKeyQVCIFNMZZUBVFK-UHFFFAOYSA-N
XLogP0.95
TPSA100.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methanamine;1-(3-nitrofuran-2-yl)pyrazole?
The IUPAC name of methanamine;1-(3-nitrofuran-2-yl)pyrazole (CID 70620262) is methanamine;1-(3-nitrofuran-2-yl)pyrazole.
What is the SMILES notation for methanamine;1-(3-nitrofuran-2-yl)pyrazole?
The canonical SMILES for methanamine;1-(3-nitrofuran-2-yl)pyrazole is CN.O=[N+]([O-])c1ccoc1-n1cccn1.
What is the InChIKey of methanamine;1-(3-nitrofuran-2-yl)pyrazole?
The InChIKey is QVCIFNMZZUBVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O3.CH5N/c11-10(12)6-2-5-13-7(6)9-4-1-3-8-9;1-2/h1-5H;2H2,1H3.
What are the key properties of methanamine;1-(3-nitrofuran-2-yl)pyrazole?
methanamine;1-(3-nitrofuran-2-yl)pyrazole has a molecular weight of 210.19 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;1-(3-nitrofuran-2-yl)pyrazole is sourced from PubChem (CID 70620262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).