5-methyl-6-nitropyrazolo[1,5-a]pyrimidine

C7H6N4O2 — CID 154926107

IUPAC5-methyl-6-nitropyrazolo[1,5-a]pyrimidine
SMILESCc1nc2ccnn2cc1[N+](=O)[O-]
InChIInChI=1S/C7H6N4O2/c1-5-6(11(12)13)4-10-7(9-5)2-3-8-10/h2-4H,1H3
InChIKeyZOEKQGWERSAECX-UHFFFAOYSA-N
MW178.15 g/mol
LogP0.95
Rot. Bonds1

About 5-methyl-6-nitropyrazolo[1,5-a]pyrimidine

5-methyl-6-nitropyrazolo[1,5-a]pyrimidine (PubChem CID 154926107) has the molecular formula C7H6N4O2 and a molecular weight of 178.15 g/mol. Its IUPAC name is 5-methyl-6-nitropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-methyl-6-nitropyrazolo[1,5-a]pyrimidine
PubChem CID154926107
Molecular FormulaC7H6N4O2
Molecular Weight178.15 g/mol
Exact Mass178.05
IUPAC Name5-methyl-6-nitropyrazolo[1,5-a]pyrimidine
SMILESCc1nc2ccnn2cc1[N+](=O)[O-]
InChIInChI=1S/C7H6N4O2/c1-5-6(11(12)13)4-10-7(9-5)2-3-8-10/h2-4H,1H3
InChIKeyZOEKQGWERSAECX-UHFFFAOYSA-N
XLogP0.95
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 50.95
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'}

Analyze 5-methyl-6-nitropyrazolo[1,5-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Methylpyrazolo[1,5-a]pyrimidine
CID 12581392
7-Methylpyrazolo(1,5-a)pyrimidine
CID 12581393
5-Chloro-3-nitropyrazolo[1,5-a]pyrimidine
CID 72207283
5,7-Dimethyl-3-nitro pyrazolo[1,5-a]pyrimidine
CID 20324961
2-Methylpyrazolo(1,5-a)pyrimidin-6-amine
CID 25247809
2-Methylpyrazolo(1,5-a)pyrimidin-3-amine hydrochloride
CID 146154023
5-Methylpyrazolo[1,5-a]pyrimidin-3-amine hydrochloride
CID 154577322
5,7-Dimethyl-3-nitrosopyrazolo[1,5-a]pyrimidine
CID 85875658
6-Nitropyrazolo[1,5-a]pyrimidine
CID 289981
2-Methylpyrazolo[1,5-a]pyrimidine
CID 12773559
3-Nitropyrazolo[1,5-a]pyrimidine
CID 687127
5-Methyl-3-nitro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 595419

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-nitropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-methyl-6-nitropyrazolo[1,5-a]pyrimidine (CID 154926107) is 5-methyl-6-nitropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-methyl-6-nitropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-methyl-6-nitropyrazolo[1,5-a]pyrimidine is Cc1nc2ccnn2cc1[N+](=O)[O-].
What is the InChIKey of 5-methyl-6-nitropyrazolo[1,5-a]pyrimidine?
The InChIKey is ZOEKQGWERSAECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O2/c1-5-6(11(12)13)4-10-7(9-5)2-3-8-10/h2-4H,1H3.
What are the key properties of 5-methyl-6-nitropyrazolo[1,5-a]pyrimidine?
5-methyl-6-nitropyrazolo[1,5-a]pyrimidine has a molecular weight of 178.15 g/mol, XLogP of 0.95, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-nitropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 154926107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).