2-(1,3-dimethyl-4-nitropyrazol-5-yl)oxyphenol

C11H11N3O4 — CID 60869145

IUPAC2-(1,3-dimethyl-4-nitropyrazol-5-yl)oxyphenol
SMILESCc1nn(C)c(Oc2ccccc2O)c1[N+](=O)[O-]
InChIInChI=1S/C11H11N3O4/c1-7-10(14(16)17)11(13(2)12-7)18-9-6-4-3-5-8(9)15/h3-6,15H,1-2H3
InChIKeyIMTAZTYLWIYMOM-UHFFFAOYSA-N
MW249.23 g/mol
LogP2.13
Rot. Bonds3

About 2-(1,3-dimethyl-4-nitropyrazol-5-yl)oxyphenol

2-(1,3-dimethyl-4-nitropyrazol-5-yl)oxyphenol (PubChem CID 60869145) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is 2-(1,3-dimethyl-4-nitropyrazol-5-yl)oxyphenol.

Molecular Properties

Compound Name2-(1,3-dimethyl-4-nitropyrazol-5-yl)oxyphenol
PubChem CID60869145
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC Name2-(1,3-dimethyl-4-nitropyrazol-5-yl)oxyphenol
SMILESCc1nn(C)c(Oc2ccccc2O)c1[N+](=O)[O-]
InChIInChI=1S/C11H11N3O4/c1-7-10(14(16)17)11(13(2)12-7)18-9-6-4-3-5-8(9)15/h3-6,15H,1-2H3
InChIKeyIMTAZTYLWIYMOM-UHFFFAOYSA-N
XLogP2.13
TPSA90.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 52.13
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-methyl-3-(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxyphenol
CID 66028409
2-(3-methyl-2-nitrophenoxy)phenol
CID 114041918
(1,3-dimethyl-4-nitropyrazol-5-yl) hydrogen carbonate
CID 70473634
3-(1,3-dimethyl-4-nitropyrazol-5-yl)oxyaniline
CID 54908951
3-(1,3-dimethyl-4-nitropyrazol-5-yl)oxybenzoic acid
CID 61395592
2-(3-methyl-4-nitro-1-propan-2-ylpyrazol-5-yl)oxyaniline
CID 66028535
1,3-dimethyl-5-(3-methyl-2-nitrophenoxy)pyrazole-4-carbonitrile
CID 63751156
3-ethyl-5-(2-iodophenoxy)-1-methyl-4-nitropyrazole
CID 66016742
5-(2-bromophenoxy)-1-methyl-4-nitro-3-propylpyrazole
CID 66014291
methyl 4-(1,3-dimethyl-4-nitropyrazol-5-yl)oxy-2-methoxybenzoate
CID 167774102
[1,3-dimethyl-5-(4-methyl-2-nitrophenoxy)pyrazol-4-yl]methanol
CID 61311454
4-(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxyphenol
CID 66028601

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-4-nitropyrazol-5-yl)oxyphenol?
The IUPAC name of 2-(1,3-dimethyl-4-nitropyrazol-5-yl)oxyphenol (CID 60869145) is 2-(1,3-dimethyl-4-nitropyrazol-5-yl)oxyphenol.
What is the SMILES notation for 2-(1,3-dimethyl-4-nitropyrazol-5-yl)oxyphenol?
The canonical SMILES for 2-(1,3-dimethyl-4-nitropyrazol-5-yl)oxyphenol is Cc1nn(C)c(Oc2ccccc2O)c1[N+](=O)[O-].
What is the InChIKey of 2-(1,3-dimethyl-4-nitropyrazol-5-yl)oxyphenol?
The InChIKey is IMTAZTYLWIYMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4/c1-7-10(14(16)17)11(13(2)12-7)18-9-6-4-3-5-8(9)15/h3-6,15H,1-2H3.
What are the key properties of 2-(1,3-dimethyl-4-nitropyrazol-5-yl)oxyphenol?
2-(1,3-dimethyl-4-nitropyrazol-5-yl)oxyphenol has a molecular weight of 249.23 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethyl-4-nitropyrazol-5-yl)oxyphenol is sourced from PubChem (CID 60869145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).