[2-(1-methylpyrazol-4-yl)oxy-5-nitrophenyl]methanol

C11H11N3O4 — CID 116793025

IUPAC[2-(1-methylpyrazol-4-yl)oxy-5-nitrophenyl]methanol
SMILESCn1cc(Oc2ccc([N+](=O)[O-])cc2CO)cn1
InChIInChI=1S/C11H11N3O4/c1-13-6-10(5-12-13)18-11-3-2-9(14(16)17)4-8(11)7-15/h2-6,15H,7H2,1H3
InChIKeyZIMYNWYJMMTEKN-UHFFFAOYSA-N
MW249.23 g/mol
LogP1.61
Rot. Bonds4

About [2-(1-methylpyrazol-4-yl)oxy-5-nitrophenyl]methanol

[2-(1-methylpyrazol-4-yl)oxy-5-nitrophenyl]methanol (PubChem CID 116793025) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is [2-(1-methylpyrazol-4-yl)oxy-5-nitrophenyl]methanol.

Molecular Properties

Compound Name[2-(1-methylpyrazol-4-yl)oxy-5-nitrophenyl]methanol
PubChem CID116793025
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC Name[2-(1-methylpyrazol-4-yl)oxy-5-nitrophenyl]methanol
SMILESCn1cc(Oc2ccc([N+](=O)[O-])cc2CO)cn1
InChIInChI=1S/C11H11N3O4/c1-13-6-10(5-12-13)18-11-3-2-9(14(16)17)4-8(11)7-15/h2-6,15H,7H2,1H3
InChIKeyZIMYNWYJMMTEKN-UHFFFAOYSA-N
XLogP1.61
TPSA90.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 51.61
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

[2-(1-methylpyrazol-4-yl)-5-nitrophenyl]methanol
CID 58515578
[2-(3,5-dichlorophenoxy)-5-nitrophenyl]methanol
CID 43622036
4-[2-(chloromethyl)-4-nitrophenoxy]-1-propan-2-ylpyrazole
CID 116802098
(2-ethoxy-5-nitrophenyl)methanol
CID 28963811
[2-(4-chloro-3-fluorophenoxy)-5-nitrophenyl]methanol
CID 82716426
[5-bromo-2-(4-nitrophenoxy)phenyl]methanol
CID 103600418
[2-(4-bromo-2-methylphenoxy)-5-nitrophenyl]methanol
CID 63216881
2-(1-ethylpyrazol-4-yl)oxy-5-nitrobenzoic acid
CID 116800744
[2-(2-fluorophenoxy)-5-nitrophenyl]methanol
CID 28964127
4-[2-[2-(bromomethyl)-4-nitrophenoxy]ethyl]-1-methylpyrazole
CID 103003752
[2-(cyclobutylmethoxy)-5-nitrophenyl]methanol
CID 65458309
[5-nitro-2-(2-piperidin-1-ylethoxy)phenyl]methanol
CID 43472931

Frequently Asked Questions

What is the IUPAC name of [2-(1-methylpyrazol-4-yl)oxy-5-nitrophenyl]methanol?
The IUPAC name of [2-(1-methylpyrazol-4-yl)oxy-5-nitrophenyl]methanol (CID 116793025) is [2-(1-methylpyrazol-4-yl)oxy-5-nitrophenyl]methanol.
What is the SMILES notation for [2-(1-methylpyrazol-4-yl)oxy-5-nitrophenyl]methanol?
The canonical SMILES for [2-(1-methylpyrazol-4-yl)oxy-5-nitrophenyl]methanol is Cn1cc(Oc2ccc([N+](=O)[O-])cc2CO)cn1.
What is the InChIKey of [2-(1-methylpyrazol-4-yl)oxy-5-nitrophenyl]methanol?
The InChIKey is ZIMYNWYJMMTEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4/c1-13-6-10(5-12-13)18-11-3-2-9(14(16)17)4-8(11)7-15/h2-6,15H,7H2,1H3.
What are the key properties of [2-(1-methylpyrazol-4-yl)oxy-5-nitrophenyl]methanol?
[2-(1-methylpyrazol-4-yl)oxy-5-nitrophenyl]methanol has a molecular weight of 249.23 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methylpyrazol-4-yl)oxy-5-nitrophenyl]methanol is sourced from PubChem (CID 116793025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).