2-methoxy-3-[(4-nitropyrazol-1-yl)methyl]pyrazine

C9H9N5O3 — CID 168936174

IUPAC2-methoxy-3-[(4-nitropyrazol-1-yl)methyl]pyrazine
SMILESCOc1nccnc1Cn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C9H9N5O3/c1-17-9-8(10-2-3-11-9)6-13-5-7(4-12-13)14(15)16/h2-5H,6H2,1H3
InChIKeyWCZLFXRWELKJHZ-UHFFFAOYSA-N
MW235.20 g/mol
LogP0.64
Rot. Bonds4

About 2-methoxy-3-[(4-nitropyrazol-1-yl)methyl]pyrazine

2-methoxy-3-[(4-nitropyrazol-1-yl)methyl]pyrazine (PubChem CID 168936174) has the molecular formula C9H9N5O3 and a molecular weight of 235.20 g/mol. Its IUPAC name is 2-methoxy-3-[(4-nitropyrazol-1-yl)methyl]pyrazine.

Molecular Properties

Compound Name2-methoxy-3-[(4-nitropyrazol-1-yl)methyl]pyrazine
PubChem CID168936174
Molecular FormulaC9H9N5O3
Molecular Weight235.20 g/mol
Exact Mass235.07
IUPAC Name2-methoxy-3-[(4-nitropyrazol-1-yl)methyl]pyrazine
SMILESCOc1nccnc1Cn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C9H9N5O3/c1-17-9-8(10-2-3-11-9)6-13-5-7(4-12-13)14(15)16/h2-5H,6H2,1H3
InChIKeyWCZLFXRWELKJHZ-UHFFFAOYSA-N
XLogP0.64
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 50.64
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-methoxy-3-[(4-nitropyrazol-1-yl)methyl]pyrazine?
The IUPAC name of 2-methoxy-3-[(4-nitropyrazol-1-yl)methyl]pyrazine (CID 168936174) is 2-methoxy-3-[(4-nitropyrazol-1-yl)methyl]pyrazine.
What is the SMILES notation for 2-methoxy-3-[(4-nitropyrazol-1-yl)methyl]pyrazine?
The canonical SMILES for 2-methoxy-3-[(4-nitropyrazol-1-yl)methyl]pyrazine is COc1nccnc1Cn1cc([N+](=O)[O-])cn1.
What is the InChIKey of 2-methoxy-3-[(4-nitropyrazol-1-yl)methyl]pyrazine?
The InChIKey is WCZLFXRWELKJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O3/c1-17-9-8(10-2-3-11-9)6-13-5-7(4-12-13)14(15)16/h2-5H,6H2,1H3.
What are the key properties of 2-methoxy-3-[(4-nitropyrazol-1-yl)methyl]pyrazine?
2-methoxy-3-[(4-nitropyrazol-1-yl)methyl]pyrazine has a molecular weight of 235.20 g/mol, XLogP of 0.64, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[(4-nitropyrazol-1-yl)methyl]pyrazine is sourced from PubChem (CID 168936174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).