1-ethyl-4-[(5-nitrofuran-2-yl)methoxy]pyrazole

C10H11N3O4 — CID 116804690

IUPAC1-ethyl-4-[(5-nitrofuran-2-yl)methoxy]pyrazole
SMILESCCn1cc(OCc2ccc([N+](=O)[O-])o2)cn1
InChIInChI=1S/C10H11N3O4/c1-2-12-6-9(5-11-12)16-7-8-3-4-10(17-8)13(14)15/h3-6H,2,7H2,1H3
InChIKeyHKSQSFJUMYFAJD-UHFFFAOYSA-N
MW237.22 g/mol
LogP1.98
Rot. Bonds5

About 1-ethyl-4-[(5-nitrofuran-2-yl)methoxy]pyrazole

1-ethyl-4-[(5-nitrofuran-2-yl)methoxy]pyrazole (PubChem CID 116804690) has the molecular formula C10H11N3O4 and a molecular weight of 237.22 g/mol. Its IUPAC name is 1-ethyl-4-[(5-nitrofuran-2-yl)methoxy]pyrazole.

Molecular Properties

Compound Name1-ethyl-4-[(5-nitrofuran-2-yl)methoxy]pyrazole
PubChem CID116804690
Molecular FormulaC10H11N3O4
Molecular Weight237.22 g/mol
Exact Mass237.07
IUPAC Name1-ethyl-4-[(5-nitrofuran-2-yl)methoxy]pyrazole
SMILESCCn1cc(OCc2ccc([N+](=O)[O-])o2)cn1
InChIInChI=1S/C10H11N3O4/c1-2-12-6-9(5-11-12)16-7-8-3-4-10(17-8)13(14)15/h3-6H,2,7H2,1H3
InChIKeyHKSQSFJUMYFAJD-UHFFFAOYSA-N
XLogP1.98
TPSA83.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 51.98
H-Bond Donors ≤ 50
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

4-[(2-bromo-4-nitrophenyl)methoxy]-1-ethylpyrazole
CID 116804773
4-[(1-ethylpyrazol-4-yl)oxymethyl]-2-(4-nitrophenyl)-1,3-oxazole
CID 99839177
4-[(5-nitrofuran-2-yl)methoxy]benzonitrile
CID 43143176
N-methyl-1-[5-[(1-propylpyrazol-4-yl)oxymethyl]furan-2-yl]methanamine
CID 116803441
1-ethyl-4-[(1-ethylpyrazol-4-yl)methoxy]pyrazole
CID 116804612
N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19340087
O-[(5-nitrofuran-2-yl)methyl]hydroxylamine
CID 79427799
N-[(1-ethylpyrazol-4-yl)methyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
CID 19467233
bis[(5-nitrofuran-2-yl)methyl] carbonate
CID 175203098
5-[(4-chloro-3-methylphenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]furan-2-carboxamide
CID 19417001
3-(1-ethylpyrazol-4-yl)oxy-4-nitrobenzoic acid
CID 116800786
4-[(2-bromophenyl)methoxy]-1-ethylpyrazole
CID 116804675

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(5-nitrofuran-2-yl)methoxy]pyrazole?
The IUPAC name of 1-ethyl-4-[(5-nitrofuran-2-yl)methoxy]pyrazole (CID 116804690) is 1-ethyl-4-[(5-nitrofuran-2-yl)methoxy]pyrazole.
What is the SMILES notation for 1-ethyl-4-[(5-nitrofuran-2-yl)methoxy]pyrazole?
The canonical SMILES for 1-ethyl-4-[(5-nitrofuran-2-yl)methoxy]pyrazole is CCn1cc(OCc2ccc([N+](=O)[O-])o2)cn1.
What is the InChIKey of 1-ethyl-4-[(5-nitrofuran-2-yl)methoxy]pyrazole?
The InChIKey is HKSQSFJUMYFAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4/c1-2-12-6-9(5-11-12)16-7-8-3-4-10(17-8)13(14)15/h3-6H,2,7H2,1H3.
What are the key properties of 1-ethyl-4-[(5-nitrofuran-2-yl)methoxy]pyrazole?
1-ethyl-4-[(5-nitrofuran-2-yl)methoxy]pyrazole has a molecular weight of 237.22 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(5-nitrofuran-2-yl)methoxy]pyrazole is sourced from PubChem (CID 116804690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).