2-cyclohexyl-3-nitropyrazolo[1,5-a]pyrimidine

C12H14N4O2 — CID 141082095

IUPAC2-cyclohexyl-3-nitropyrazolo[1,5-a]pyrimidine
SMILESO=[N+]([O-])c1c(C2CCCCC2)nn2cccnc12
InChIInChI=1S/C12H14N4O2/c17-16(18)11-10(9-5-2-1-3-6-9)14-15-8-4-7-13-12(11)15/h4,7-9H,1-3,5-6H2
InChIKeyZQGQSDLMWDUIIO-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.69
Rot. Bonds2

About 2-cyclohexyl-3-nitropyrazolo[1,5-a]pyrimidine

2-cyclohexyl-3-nitropyrazolo[1,5-a]pyrimidine (PubChem CID 141082095) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-cyclohexyl-3-nitropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-cyclohexyl-3-nitropyrazolo[1,5-a]pyrimidine
PubChem CID141082095
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name2-cyclohexyl-3-nitropyrazolo[1,5-a]pyrimidine
SMILESO=[N+]([O-])c1c(C2CCCCC2)nn2cccnc12
InChIInChI=1S/C12H14N4O2/c17-16(18)11-10(9-5-2-1-3-6-9)14-15-8-4-7-13-12(11)15/h4,7-9H,1-3,5-6H2
InChIKeyZQGQSDLMWDUIIO-UHFFFAOYSA-N
XLogP2.69
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-cyclohexylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 82271954
(2-cyclobutylpyrazolo[1,5-a]pyrimidin-3-yl)methanethiol
CID 82272076
6-cyclohexyl-5-nitropyrimidin-4-amine
CID 71384152
7-cyclohexyl-3-nitro-2-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 69154485
2-chloro-5-cyclohexyl-4-methyl-3-nitropyridine
CID 174426160
4-cyclopentyl-5-nitro-1H-imidazole
CID 137002473
2-[(3S)-3-hydroxypiperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 175860357
N-cyclohexyl-3-ethyl-N,1-dimethyl-4-nitropyrazol-5-amine
CID 133423374
3-cycloheptyl-1-methyl-4-pyridin-2-ylpyrazol-5-amine
CID 80521277
3-cyclohexyl-N-(3-phenylpyrazolo[1,5-a]pyrimidin-2-yl)propanamide
CID 68751940
4-methyl-3-nitro-2-[(3S)-3-pyridin-2-ylpiperidin-1-yl]pyridine
CID 125424049
N-(3-tert-butylpyrazolo[1,5-a]pyrimidin-2-yl)-3-cyclopentylpropanamide
CID 68753487

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3-nitropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-cyclohexyl-3-nitropyrazolo[1,5-a]pyrimidine (CID 141082095) is 2-cyclohexyl-3-nitropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-cyclohexyl-3-nitropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-cyclohexyl-3-nitropyrazolo[1,5-a]pyrimidine is O=[N+]([O-])c1c(C2CCCCC2)nn2cccnc12.
What is the InChIKey of 2-cyclohexyl-3-nitropyrazolo[1,5-a]pyrimidine?
The InChIKey is ZQGQSDLMWDUIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c17-16(18)11-10(9-5-2-1-3-6-9)14-15-8-4-7-13-12(11)15/h4,7-9H,1-3,5-6H2.
What are the key properties of 2-cyclohexyl-3-nitropyrazolo[1,5-a]pyrimidine?
2-cyclohexyl-3-nitropyrazolo[1,5-a]pyrimidine has a molecular weight of 246.27 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-nitropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 141082095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).