2-[4-[(5-nitrofuran-2-yl)methylamino]pyrazol-1-yl]acetamide

C10H11N5O4 — CID 43783547

IUPAC2-[4-[(5-nitrofuran-2-yl)methylamino]pyrazol-1-yl]acetamide
SMILESNC(=O)Cn1cc(NCc2ccc([N+](=O)[O-])o2)cn1
InChIInChI=1S/C10H11N5O4/c11-9(16)6-14-5-7(3-13-14)12-4-8-1-2-10(19-8)15(17)18/h1-3,5,12H,4,6H2,(H2,11,16)
InChIKeyTYGPELREWCPVSK-UHFFFAOYSA-N
MW265.23 g/mol
LogP0.48
Rot. Bonds6

About 2-[4-[(5-nitrofuran-2-yl)methylamino]pyrazol-1-yl]acetamide

2-[4-[(5-nitrofuran-2-yl)methylamino]pyrazol-1-yl]acetamide (PubChem CID 43783547) has the molecular formula C10H11N5O4 and a molecular weight of 265.23 g/mol. Its IUPAC name is 2-[4-[(5-nitrofuran-2-yl)methylamino]pyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(5-nitrofuran-2-yl)methylamino]pyrazol-1-yl]acetamide
PubChem CID43783547
Molecular FormulaC10H11N5O4
Molecular Weight265.23 g/mol
Exact Mass265.08
IUPAC Name2-[4-[(5-nitrofuran-2-yl)methylamino]pyrazol-1-yl]acetamide
SMILESNC(=O)Cn1cc(NCc2ccc([N+](=O)[O-])o2)cn1
InChIInChI=1S/C10H11N5O4/c11-9(16)6-14-5-7(3-13-14)12-4-8-1-2-10(19-8)15(17)18/h1-3,5,12H,4,6H2,(H2,11,16)
InChIKeyTYGPELREWCPVSK-UHFFFAOYSA-N
XLogP0.48
TPSA129.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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Related Compounds

2-[4-[(4-ethylphenyl)methylamino]pyrazol-1-yl]acetamide
CID 43695116
2-[4-[(4-tert-butylphenyl)methylamino]pyrazol-1-yl]acetamide
CID 43695086
2-[4-[(5-bromofuran-2-yl)methylamino]pyrazol-1-yl]-N-methylacetamide
CID 54866454
2-[4-(2,6-difluoro-4-nitroanilino)pyrazol-1-yl]acetamide
CID 86780545
2-[4-(pyrazin-2-ylmethylamino)pyrazol-1-yl]acetamide
CID 62761635
N,N-dimethyl-4-[(5-nitrofuran-2-yl)methylamino]benzamide
CID 43780630
2-[4-[(2,4-dichlorophenyl)methylamino]pyrazol-1-yl]acetamide
CID 43695144
2-[4-(1,3-benzodioxol-4-ylmethylamino)pyrazol-1-yl]acetamide
CID 43695077
2-[4-[(3-fluoro-2-hydroxyphenyl)methylamino]pyrazol-1-yl]acetamide
CID 112606480
2-[4-(butylamino)pyrazol-1-yl]acetamide
CID 43695314
2-[4-(4-methylsulfanylbutylamino)pyrazol-1-yl]acetamide
CID 103087519
2-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrazol-1-yl]acetamide
CID 43695305

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-nitrofuran-2-yl)methylamino]pyrazol-1-yl]acetamide?
The IUPAC name of 2-[4-[(5-nitrofuran-2-yl)methylamino]pyrazol-1-yl]acetamide (CID 43783547) is 2-[4-[(5-nitrofuran-2-yl)methylamino]pyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[4-[(5-nitrofuran-2-yl)methylamino]pyrazol-1-yl]acetamide?
The canonical SMILES for 2-[4-[(5-nitrofuran-2-yl)methylamino]pyrazol-1-yl]acetamide is NC(=O)Cn1cc(NCc2ccc([N+](=O)[O-])o2)cn1.
What is the InChIKey of 2-[4-[(5-nitrofuran-2-yl)methylamino]pyrazol-1-yl]acetamide?
The InChIKey is TYGPELREWCPVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O4/c11-9(16)6-14-5-7(3-13-14)12-4-8-1-2-10(19-8)15(17)18/h1-3,5,12H,4,6H2,(H2,11,16).
What are the key properties of 2-[4-[(5-nitrofuran-2-yl)methylamino]pyrazol-1-yl]acetamide?
2-[4-[(5-nitrofuran-2-yl)methylamino]pyrazol-1-yl]acetamide has a molecular weight of 265.23 g/mol, XLogP of 0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-nitrofuran-2-yl)methylamino]pyrazol-1-yl]acetamide is sourced from PubChem (CID 43783547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).