2-[5-methyl-2-(3-nitro-2-pyridinyl)pyrazol-3-yl]phenol

C15H12N4O3 — CID 135465507

IUPAC2-[5-methyl-2-(3-nitro-2-pyridinyl)pyrazol-3-yl]phenol
SMILESCc1cc(-c2ccccc2O)n(-c2ncccc2[N+](=O)[O-])n1
InChIInChI=1S/C15H12N4O3/c1-10-9-13(11-5-2-3-7-14(11)20)18(17-10)15-12(19(21)22)6-4-8-16-15/h2-9,20H,1H3
InChIKeyDQFOTZQHZKBSTK-UHFFFAOYSA-N
MW296.29 g/mol
LogP2.86
Rot. Bonds3

About 2-[5-methyl-2-(3-nitro-2-pyridinyl)pyrazol-3-yl]phenol

2-[5-methyl-2-(3-nitro-2-pyridinyl)pyrazol-3-yl]phenol (PubChem CID 135465507) has the molecular formula C15H12N4O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 2-[5-methyl-2-(3-nitro-2-pyridinyl)pyrazol-3-yl]phenol.

Molecular Properties

Compound Name2-[5-methyl-2-(3-nitro-2-pyridinyl)pyrazol-3-yl]phenol
PubChem CID135465507
Molecular FormulaC15H12N4O3
Molecular Weight296.29 g/mol
Exact Mass296.09
IUPAC Name2-[5-methyl-2-(3-nitro-2-pyridinyl)pyrazol-3-yl]phenol
SMILESCc1cc(-c2ccccc2O)n(-c2ncccc2[N+](=O)[O-])n1
InChIInChI=1S/C15H12N4O3/c1-10-9-13(11-5-2-3-7-14(11)20)18(17-10)15-12(19(21)22)6-4-8-16-15/h2-9,20H,1H3
InChIKeyDQFOTZQHZKBSTK-UHFFFAOYSA-N
XLogP2.86
TPSA94.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 52.86
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-(5-methyl-2-phenylpyrazol-3-yl)oxy-3-nitropyridine
CID 59830873
2-(2-methylaziridin-1-yl)-3-nitropyridine
CID 10921096
2-methylpyridine;nitric acid
CID 134537856
2,4-dimethyl-5-(2-nitrophenyl)pyridine
CID 121389109
2-[5-(2-nitrophenyl)-1H-pyrazol-3-yl]phenol
CID 3702104
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CID 10610227
methyl-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]borinic acid
CID 20763912
methanol;2-nitrophenol
CID 157303764
N-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]acetamide
CID 49430968
1-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]but-2-yn-1-one
CID 142827420
ethane;1-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]ethanone;propane
CID 142827395

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-2-(3-nitro-2-pyridinyl)pyrazol-3-yl]phenol?
The IUPAC name of 2-[5-methyl-2-(3-nitro-2-pyridinyl)pyrazol-3-yl]phenol (CID 135465507) is 2-[5-methyl-2-(3-nitro-2-pyridinyl)pyrazol-3-yl]phenol.
What is the SMILES notation for 2-[5-methyl-2-(3-nitro-2-pyridinyl)pyrazol-3-yl]phenol?
The canonical SMILES for 2-[5-methyl-2-(3-nitro-2-pyridinyl)pyrazol-3-yl]phenol is Cc1cc(-c2ccccc2O)n(-c2ncccc2[N+](=O)[O-])n1.
What is the InChIKey of 2-[5-methyl-2-(3-nitro-2-pyridinyl)pyrazol-3-yl]phenol?
The InChIKey is DQFOTZQHZKBSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O3/c1-10-9-13(11-5-2-3-7-14(11)20)18(17-10)15-12(19(21)22)6-4-8-16-15/h2-9,20H,1H3.
What are the key properties of 2-[5-methyl-2-(3-nitro-2-pyridinyl)pyrazol-3-yl]phenol?
2-[5-methyl-2-(3-nitro-2-pyridinyl)pyrazol-3-yl]phenol has a molecular weight of 296.29 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-2-(3-nitro-2-pyridinyl)pyrazol-3-yl]phenol is sourced from PubChem (CID 135465507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).