1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethyl-4-nitropyrazole

C11H15N5O2 — CID 7018547

IUPAC1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethyl-4-nitropyrazole
SMILESCc1cc(C)n(Cn2nc(C)c([N+](=O)[O-])c2C)n1
InChIInChI=1S/C11H15N5O2/c1-7-5-8(2)14(12-7)6-15-10(4)11(16(17)18)9(3)13-15/h5H,6H2,1-4H3
InChIKeyOLOSNBSVZWZCOS-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.73
Rot. Bonds3

About 1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethyl-4-nitropyrazole

1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethyl-4-nitropyrazole (PubChem CID 7018547) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethyl-4-nitropyrazole.

Molecular Properties

Compound Name1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethyl-4-nitropyrazole
PubChem CID7018547
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethyl-4-nitropyrazole
SMILESCc1cc(C)n(Cn2nc(C)c([N+](=O)[O-])c2C)n1
InChIInChI=1S/C11H15N5O2/c1-7-5-8(2)14(12-7)6-15-10(4)11(16(17)18)9(3)13-15/h5H,6H2,1-4H3
InChIKeyOLOSNBSVZWZCOS-UHFFFAOYSA-N
XLogP1.73
TPSA78.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.73
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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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethyl-4-nitropyrazole?
The IUPAC name of 1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethyl-4-nitropyrazole (CID 7018547) is 1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethyl-4-nitropyrazole.
What is the SMILES notation for 1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethyl-4-nitropyrazole?
The canonical SMILES for 1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethyl-4-nitropyrazole is Cc1cc(C)n(Cn2nc(C)c([N+](=O)[O-])c2C)n1.
What is the InChIKey of 1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethyl-4-nitropyrazole?
The InChIKey is OLOSNBSVZWZCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-7-5-8(2)14(12-7)6-15-10(4)11(16(17)18)9(3)13-15/h5H,6H2,1-4H3.
What are the key properties of 1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethyl-4-nitropyrazole?
1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethyl-4-nitropyrazole has a molecular weight of 249.27 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethyl-4-nitropyrazole is sourced from PubChem (CID 7018547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).