1-(2-methoxyethyl)-5-methyl-3-nitropyrazole

C7H11N3O3 — CID 135374799

IUPAC1-(2-methoxyethyl)-5-methyl-3-nitropyrazole
SMILESCOCCn1nc([N+](=O)[O-])cc1C
InChIInChI=1S/C7H11N3O3/c1-6-5-7(10(11)12)8-9(6)3-4-13-2/h5H,3-4H2,1-2H3
InChIKeyMPJBMIBCIURPGQ-UHFFFAOYSA-N
MW185.18 g/mol
LogP0.75
Rot. Bonds4

About 1-(2-methoxyethyl)-5-methyl-3-nitropyrazole

1-(2-methoxyethyl)-5-methyl-3-nitropyrazole (PubChem CID 135374799) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-5-methyl-3-nitropyrazole.

Molecular Properties

Compound Name1-(2-methoxyethyl)-5-methyl-3-nitropyrazole
PubChem CID135374799
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Name1-(2-methoxyethyl)-5-methyl-3-nitropyrazole
SMILESCOCCn1nc([N+](=O)[O-])cc1C
InChIInChI=1S/C7H11N3O3/c1-6-5-7(10(11)12)8-9(6)3-4-13-2/h5H,3-4H2,1-2H3
InChIKeyMPJBMIBCIURPGQ-UHFFFAOYSA-N
XLogP0.75
TPSA70.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 50.75
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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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-5-methyl-3-nitropyrazole?
The IUPAC name of 1-(2-methoxyethyl)-5-methyl-3-nitropyrazole (CID 135374799) is 1-(2-methoxyethyl)-5-methyl-3-nitropyrazole.
What is the SMILES notation for 1-(2-methoxyethyl)-5-methyl-3-nitropyrazole?
The canonical SMILES for 1-(2-methoxyethyl)-5-methyl-3-nitropyrazole is COCCn1nc([N+](=O)[O-])cc1C.
What is the InChIKey of 1-(2-methoxyethyl)-5-methyl-3-nitropyrazole?
The InChIKey is MPJBMIBCIURPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3/c1-6-5-7(10(11)12)8-9(6)3-4-13-2/h5H,3-4H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-5-methyl-3-nitropyrazole?
1-(2-methoxyethyl)-5-methyl-3-nitropyrazole has a molecular weight of 185.18 g/mol, XLogP of 0.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-5-methyl-3-nitropyrazole is sourced from PubChem (CID 135374799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).