N-(furan-2-ylmethyl)-2-(4-nitropyrazol-1-yl)acetamide

C10H10N4O4 — CID 2983956

IUPACN-(furan-2-ylmethyl)-2-(4-nitropyrazol-1-yl)acetamide
SMILESO=C(Cn1cc([N+](=O)[O-])cn1)NCc1ccco1
InChIInChI=1S/C10H10N4O4/c15-10(11-5-9-2-1-3-18-9)7-13-6-8(4-12-13)14(16)17/h1-4,6H,5,7H2,(H,11,15)
InChIKeyRRLDRDVTVZKUGW-UHFFFAOYSA-N
MW250.21 g/mol
LogP0.70
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-(4-nitropyrazol-1-yl)acetamide

N-(furan-2-ylmethyl)-2-(4-nitropyrazol-1-yl)acetamide (PubChem CID 2983956) has the molecular formula C10H10N4O4 and a molecular weight of 250.21 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(4-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(4-nitropyrazol-1-yl)acetamide
PubChem CID2983956
Molecular FormulaC10H10N4O4
Molecular Weight250.21 g/mol
Exact Mass250.07
IUPAC NameN-(furan-2-ylmethyl)-2-(4-nitropyrazol-1-yl)acetamide
SMILESO=C(Cn1cc([N+](=O)[O-])cn1)NCc1ccco1
InChIInChI=1S/C10H10N4O4/c15-10(11-5-9-2-1-3-18-9)7-13-6-8(4-12-13)14(16)17/h1-4,6H,5,7H2,(H,11,15)
InChIKeyRRLDRDVTVZKUGW-UHFFFAOYSA-N
XLogP0.70
TPSA103.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 50.70
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 N-(furan-2-ylmethyl)-2-(4-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(4-nitropyrazol-1-yl)acetamide (CID 2983956) is N-(furan-2-ylmethyl)-2-(4-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(4-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(4-nitropyrazol-1-yl)acetamide is O=C(Cn1cc([N+](=O)[O-])cn1)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(4-nitropyrazol-1-yl)acetamide?
The InChIKey is RRLDRDVTVZKUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O4/c15-10(11-5-9-2-1-3-18-9)7-13-6-8(4-12-13)14(16)17/h1-4,6H,5,7H2,(H,11,15).
What are the key properties of N-(furan-2-ylmethyl)-2-(4-nitropyrazol-1-yl)acetamide?
N-(furan-2-ylmethyl)-2-(4-nitropyrazol-1-yl)acetamide has a molecular weight of 250.21 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(4-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 2983956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).