5-(1-methyl-4-nitropyrazol-5-yl)pyrimidine

C8H7N5O2 — CID 102336741

IUPAC5-(1-methyl-4-nitropyrazol-5-yl)pyrimidine
SMILESCn1ncc([N+](=O)[O-])c1-c1cncnc1
InChIInChI=1S/C8H7N5O2/c1-12-8(6-2-9-5-10-3-6)7(4-11-12)13(14)15/h2-5H,1H3
InChIKeyPAJDYUZPPUAERP-UHFFFAOYSA-N
MW205.18 g/mol
LogP0.79
Rot. Bonds2

About 5-(1-methyl-4-nitropyrazol-5-yl)pyrimidine

5-(1-methyl-4-nitropyrazol-5-yl)pyrimidine (PubChem CID 102336741) has the molecular formula C8H7N5O2 and a molecular weight of 205.18 g/mol. Its IUPAC name is 5-(1-methyl-4-nitropyrazol-5-yl)pyrimidine.

Molecular Properties

Compound Name5-(1-methyl-4-nitropyrazol-5-yl)pyrimidine
PubChem CID102336741
Molecular FormulaC8H7N5O2
Molecular Weight205.18 g/mol
Exact Mass205.06
IUPAC Name5-(1-methyl-4-nitropyrazol-5-yl)pyrimidine
SMILESCn1ncc([N+](=O)[O-])c1-c1cncnc1
InChIInChI=1S/C8H7N5O2/c1-12-8(6-2-9-5-10-3-6)7(4-11-12)13(14)15/h2-5H,1H3
InChIKeyPAJDYUZPPUAERP-UHFFFAOYSA-N
XLogP0.79
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 50.79
H-Bond Donors ≤ 50
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

5-(1,4-dimethylpyrazol-5-yl)pyrimidine
CID 169090134
1-methyl-4-nitro-5-propan-2-ylpyrazole
CID 83381679
5-ethyl-1-methyl-4-nitropyrazole
CID 154882110
1-methyl-5-methylsulfonyl-4-nitropyrazole
CID 105457047
5-(3,4-dihydro-2H-pyran-6-yl)-1-methyl-4-nitropyrazole
CID 90072281
1-methyl-5-(3-methylbutyl)-4-nitropyrazole
CID 153281711
5-methyl-3-nitro-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 135241053
2-amino-1-(1-methyl-4-nitropyrazol-5-yl)ethanol
CID 83443085
3,3-bis(1-methyl-4-nitropyrazol-5-yl)azepane
CID 174732706
4-methoxy-1-(1-methyl-4-nitropyrazol-5-yl)piperidine
CID 141363083
methyl 2-(1-methyl-4-nitropyrazol-5-yl)acetate
CID 86713803
1-methyl-4,6-dinitroindazole
CID 71946278

Frequently Asked Questions

What is the IUPAC name of 5-(1-methyl-4-nitropyrazol-5-yl)pyrimidine?
The IUPAC name of 5-(1-methyl-4-nitropyrazol-5-yl)pyrimidine (CID 102336741) is 5-(1-methyl-4-nitropyrazol-5-yl)pyrimidine.
What is the SMILES notation for 5-(1-methyl-4-nitropyrazol-5-yl)pyrimidine?
The canonical SMILES for 5-(1-methyl-4-nitropyrazol-5-yl)pyrimidine is Cn1ncc([N+](=O)[O-])c1-c1cncnc1.
What is the InChIKey of 5-(1-methyl-4-nitropyrazol-5-yl)pyrimidine?
The InChIKey is PAJDYUZPPUAERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O2/c1-12-8(6-2-9-5-10-3-6)7(4-11-12)13(14)15/h2-5H,1H3.
What are the key properties of 5-(1-methyl-4-nitropyrazol-5-yl)pyrimidine?
5-(1-methyl-4-nitropyrazol-5-yl)pyrimidine has a molecular weight of 205.18 g/mol, XLogP of 0.79, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methyl-4-nitropyrazol-5-yl)pyrimidine is sourced from PubChem (CID 102336741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).