5-nitro-3-(1H-pyrazol-5-yl)furan-2-carboxamide

C8H6N4O4 — CID 175705200

IUPAC5-nitro-3-(1H-pyrazol-5-yl)furan-2-carboxamide
SMILESNC(=O)c1oc([N+](=O)[O-])cc1-c1ccn[nH]1
InChIInChI=1S/C8H6N4O4/c9-8(13)7-4(5-1-2-10-11-5)3-6(16-7)12(14)15/h1-3H,(H2,9,13)(H,10,11)
InChIKeyJQGVKESSHHECHV-UHFFFAOYSA-N
MW222.16 g/mol
LogP0.68
Rot. Bonds3

About 5-nitro-3-(1H-pyrazol-5-yl)furan-2-carboxamide

5-nitro-3-(1H-pyrazol-5-yl)furan-2-carboxamide (PubChem CID 175705200) has the molecular formula C8H6N4O4 and a molecular weight of 222.16 g/mol. Its IUPAC name is 5-nitro-3-(1H-pyrazol-5-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-nitro-3-(1H-pyrazol-5-yl)furan-2-carboxamide
PubChem CID175705200
Molecular FormulaC8H6N4O4
Molecular Weight222.16 g/mol
Exact Mass222.04
IUPAC Name5-nitro-3-(1H-pyrazol-5-yl)furan-2-carboxamide
SMILESNC(=O)c1oc([N+](=O)[O-])cc1-c1ccn[nH]1
InChIInChI=1S/C8H6N4O4/c9-8(13)7-4(5-1-2-10-11-5)3-6(16-7)12(14)15/h1-3H,(H2,9,13)(H,10,11)
InChIKeyJQGVKESSHHECHV-UHFFFAOYSA-N
XLogP0.68
TPSA128.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.16
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 5-nitro-3-(1H-pyrazol-5-yl)furan-2-carboxamide?
The IUPAC name of 5-nitro-3-(1H-pyrazol-5-yl)furan-2-carboxamide (CID 175705200) is 5-nitro-3-(1H-pyrazol-5-yl)furan-2-carboxamide.
What is the SMILES notation for 5-nitro-3-(1H-pyrazol-5-yl)furan-2-carboxamide?
The canonical SMILES for 5-nitro-3-(1H-pyrazol-5-yl)furan-2-carboxamide is NC(=O)c1oc([N+](=O)[O-])cc1-c1ccn[nH]1.
What is the InChIKey of 5-nitro-3-(1H-pyrazol-5-yl)furan-2-carboxamide?
The InChIKey is JQGVKESSHHECHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O4/c9-8(13)7-4(5-1-2-10-11-5)3-6(16-7)12(14)15/h1-3H,(H2,9,13)(H,10,11).
What are the key properties of 5-nitro-3-(1H-pyrazol-5-yl)furan-2-carboxamide?
5-nitro-3-(1H-pyrazol-5-yl)furan-2-carboxamide has a molecular weight of 222.16 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-3-(1H-pyrazol-5-yl)furan-2-carboxamide is sourced from PubChem (CID 175705200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).