2-(1-methylpyrazol-4-yl)-6-nitropyrazolo[1,5-a]pyrimidine

C10H8N6O2 — CID 67053225

IUPAC2-(1-methylpyrazol-4-yl)-6-nitropyrazolo[1,5-a]pyrimidine
SMILESCn1cc(-c2cc3ncc([N+](=O)[O-])cn3n2)cn1
InChIInChI=1S/C10H8N6O2/c1-14-5-7(3-12-14)9-2-10-11-4-8(16(17)18)6-15(10)13-9/h2-6H,1H3
InChIKeyWBXYGQRPUFDIIE-UHFFFAOYSA-N
MW244.21 g/mol
LogP1.04
Rot. Bonds2

About 2-(1-methylpyrazol-4-yl)-6-nitropyrazolo[1,5-a]pyrimidine

2-(1-methylpyrazol-4-yl)-6-nitropyrazolo[1,5-a]pyrimidine (PubChem CID 67053225) has the molecular formula C10H8N6O2 and a molecular weight of 244.21 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-6-nitropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-6-nitropyrazolo[1,5-a]pyrimidine
PubChem CID67053225
Molecular FormulaC10H8N6O2
Molecular Weight244.21 g/mol
Exact Mass244.07
IUPAC Name2-(1-methylpyrazol-4-yl)-6-nitropyrazolo[1,5-a]pyrimidine
SMILESCn1cc(-c2cc3ncc([N+](=O)[O-])cn3n2)cn1
InChIInChI=1S/C10H8N6O2/c1-14-5-7(3-12-14)9-2-10-11-4-8(16(17)18)6-15(10)13-9/h2-6H,1H3
InChIKeyWBXYGQRPUFDIIE-UHFFFAOYSA-N
XLogP1.04
TPSA91.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-6-nitropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-6-nitropyrazolo[1,5-a]pyrimidine (CID 67053225) is 2-(1-methylpyrazol-4-yl)-6-nitropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-6-nitropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-6-nitropyrazolo[1,5-a]pyrimidine is Cn1cc(-c2cc3ncc([N+](=O)[O-])cn3n2)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-6-nitropyrazolo[1,5-a]pyrimidine?
The InChIKey is WBXYGQRPUFDIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N6O2/c1-14-5-7(3-12-14)9-2-10-11-4-8(16(17)18)6-15(10)13-9/h2-6H,1H3.
What are the key properties of 2-(1-methylpyrazol-4-yl)-6-nitropyrazolo[1,5-a]pyrimidine?
2-(1-methylpyrazol-4-yl)-6-nitropyrazolo[1,5-a]pyrimidine has a molecular weight of 244.21 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-6-nitropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 67053225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).