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

C11H12N4O4 — CID 4918403

IUPACN-(furan-2-ylmethyl)-2-(4-nitropyrazol-1-yl)propanamide
SMILESCC(C(=O)NCc1ccco1)n1cc([N+](=O)[O-])cn1
InChIInChI=1S/C11H12N4O4/c1-8(14-7-9(5-13-14)15(17)18)11(16)12-6-10-3-2-4-19-10/h2-5,7-8H,6H2,1H3,(H,12,16)
InChIKeyJZJBDEVURRMFIO-UHFFFAOYSA-N
MW264.24 g/mol
LogP1.26
Rot. Bonds5

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

N-(furan-2-ylmethyl)-2-(4-nitropyrazol-1-yl)propanamide (PubChem CID 4918403) has the molecular formula C11H12N4O4 and a molecular weight of 264.24 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(4-nitropyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(4-nitropyrazol-1-yl)propanamide
PubChem CID4918403
Molecular FormulaC11H12N4O4
Molecular Weight264.24 g/mol
Exact Mass264.09
IUPAC NameN-(furan-2-ylmethyl)-2-(4-nitropyrazol-1-yl)propanamide
SMILESCC(C(=O)NCc1ccco1)n1cc([N+](=O)[O-])cn1
InChIInChI=1S/C11H12N4O4/c1-8(14-7-9(5-13-14)15(17)18)11(16)12-6-10-3-2-4-19-10/h2-5,7-8H,6H2,1H3,(H,12,16)
InChIKeyJZJBDEVURRMFIO-UHFFFAOYSA-N
XLogP1.26
TPSA103.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 51.26
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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Related Compounds

N-(furan-2-ylmethyl)-2-(4-methylpyrazol-1-yl)propanamide
CID 19534412
(2R)-N-[(2-methylphenyl)methyl]-2-(4-nitropyrazol-1-yl)propanamide
CID 97340692
N-(furan-2-ylmethyl)-2-(4-phenylpyrazol-1-yl)propanamide
CID 110210706
N-ethyl-2-(4-nitropyrazol-1-yl)propanamide
CID 19534268
2-(4-nitropyrazol-1-yl)-N-(2-sulfanylethyl)propanamide
CID 19528811
1-(furan-2-ylmethyl)-3-[2-(4-nitropyrazol-1-yl)ethyl]urea
CID 71968332
(2R)-2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 1259182
N-butan-2-yl-2-(4-nitropyrazol-1-yl)propanamide
CID 19528821
N-[3-(dimethylamino)propyl]-2-(4-nitropyrazol-1-yl)propanamide
CID 19528820
N-(furan-2-ylmethyl)-2-(4-nitrophenyl)sulfanylpropanamide
CID 42916165
2-(4-nitropyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)propanamide
CID 19528793
2-(4-chloropyrazol-1-yl)-N-(furan-2-ylmethyl)butanamide
CID 19536831

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(4-nitropyrazol-1-yl)propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(4-nitropyrazol-1-yl)propanamide (CID 4918403) is N-(furan-2-ylmethyl)-2-(4-nitropyrazol-1-yl)propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(4-nitropyrazol-1-yl)propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(4-nitropyrazol-1-yl)propanamide is CC(C(=O)NCc1ccco1)n1cc([N+](=O)[O-])cn1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(4-nitropyrazol-1-yl)propanamide?
The InChIKey is JZJBDEVURRMFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4/c1-8(14-7-9(5-13-14)15(17)18)11(16)12-6-10-3-2-4-19-10/h2-5,7-8H,6H2,1H3,(H,12,16).
What are the key properties of N-(furan-2-ylmethyl)-2-(4-nitropyrazol-1-yl)propanamide?
N-(furan-2-ylmethyl)-2-(4-nitropyrazol-1-yl)propanamide has a molecular weight of 264.24 g/mol, XLogP of 1.26, 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)propanamide is sourced from PubChem (CID 4918403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).