1-(furan-2-ylmethyl)-3-[2-(4-nitropyrazol-1-yl)ethyl]urea

C11H13N5O4 — CID 71968332

IUPAC1-(furan-2-ylmethyl)-3-[2-(4-nitropyrazol-1-yl)ethyl]urea
SMILESO=C(NCCn1cc([N+](=O)[O-])cn1)NCc1ccco1
InChIInChI=1S/C11H13N5O4/c17-11(13-7-10-2-1-5-20-10)12-3-4-15-8-9(6-14-15)16(18)19/h1-2,5-6,8H,3-4,7H2,(H2,12,13,17)
InChIKeyQAPWGCOZWMIYNG-UHFFFAOYSA-N
MW279.26 g/mol
LogP0.88
Rot. Bonds6

About 1-(furan-2-ylmethyl)-3-[2-(4-nitropyrazol-1-yl)ethyl]urea

1-(furan-2-ylmethyl)-3-[2-(4-nitropyrazol-1-yl)ethyl]urea (PubChem CID 71968332) has the molecular formula C11H13N5O4 and a molecular weight of 279.26 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-[2-(4-nitropyrazol-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-[2-(4-nitropyrazol-1-yl)ethyl]urea
PubChem CID71968332
Molecular FormulaC11H13N5O4
Molecular Weight279.26 g/mol
Exact Mass279.10
IUPAC Name1-(furan-2-ylmethyl)-3-[2-(4-nitropyrazol-1-yl)ethyl]urea
SMILESO=C(NCCn1cc([N+](=O)[O-])cn1)NCc1ccco1
InChIInChI=1S/C11H13N5O4/c17-11(13-7-10-2-1-5-20-10)12-3-4-15-8-9(6-14-15)16(18)19/h1-2,5-6,8H,3-4,7H2,(H2,12,13,17)
InChIKeyQAPWGCOZWMIYNG-UHFFFAOYSA-N
XLogP0.88
TPSA115.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 50.88
H-Bond Donors ≤ 52
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-nitropyrazol-1-yl)propanamide
CID 4918403
1-(furan-2-ylmethyl)-3-(3-pyrazol-1-ylpropyl)urea
CID 47176690
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(4-nitropyrazol-1-yl)ethyl]urea
CID 71915147
N-[2-(4-nitropyrazol-1-yl)ethyl]-4-phenylbenzamide
CID 19281844
2-(4-chloropyrazol-1-yl)-N-[2-(4-nitropyrazol-1-yl)ethyl]acetamide
CID 19281846
3-(4-chloropyrazol-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 19542092
N-[2-(furan-2-carbonylamino)ethyl]-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 17084615
4-chloro-3-nitro-N-[2-(4-nitropyrazol-1-yl)ethyl]benzamide
CID 19281902
3-[(4-nitropyrazol-1-yl)methyl]furan-2-carbohydrazide
CID 63572603
N-[2-(4-nitropyrazol-1-yl)ethyl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
CID 19281788
[5-[(4-nitropyrazol-1-yl)methyl]furan-2-yl]methanol
CID 66928816
N-(furan-2-ylmethyl)-1-methyl-4-[[2-[3-(4-nitropyrazol-1-yl)-1-adamantyl]acetyl]amino]pyrazole-5-carboxamide
CID 19398142

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-[2-(4-nitropyrazol-1-yl)ethyl]urea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-[2-(4-nitropyrazol-1-yl)ethyl]urea (CID 71968332) is 1-(furan-2-ylmethyl)-3-[2-(4-nitropyrazol-1-yl)ethyl]urea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-[2-(4-nitropyrazol-1-yl)ethyl]urea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-[2-(4-nitropyrazol-1-yl)ethyl]urea is O=C(NCCn1cc([N+](=O)[O-])cn1)NCc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-[2-(4-nitropyrazol-1-yl)ethyl]urea?
The InChIKey is QAPWGCOZWMIYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O4/c17-11(13-7-10-2-1-5-20-10)12-3-4-15-8-9(6-14-15)16(18)19/h1-2,5-6,8H,3-4,7H2,(H2,12,13,17).
What are the key properties of 1-(furan-2-ylmethyl)-3-[2-(4-nitropyrazol-1-yl)ethyl]urea?
1-(furan-2-ylmethyl)-3-[2-(4-nitropyrazol-1-yl)ethyl]urea has a molecular weight of 279.26 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-[2-(4-nitropyrazol-1-yl)ethyl]urea is sourced from PubChem (CID 71968332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).