2-methoxy-1-(1H-pyrazol-4-yl)propan-1-imine

C7H11N3O — CID 136660599

IUPAC2-methoxy-1-(1H-pyrazol-4-yl)propan-1-imine
SMILES[H]/N=C(/c1cn[nH]c1)C(C)OC
InChIInChI=1S/C7H11N3O/c1-5(11-2)7(8)6-3-9-10-4-6/h3-5,8H,1-2H3,(H,9,10)/b8-7+
InChIKeyBWYLMIZOBADOPW-BQYQJAHWSA-N
MW153.19 g/mol
LogP0.81
Rot. Bonds3

About 2-methoxy-1-(1H-pyrazol-4-yl)propan-1-imine

2-methoxy-1-(1H-pyrazol-4-yl)propan-1-imine (PubChem CID 136660599) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 2-methoxy-1-(1H-pyrazol-4-yl)propan-1-imine.

Molecular Properties

Compound Name2-methoxy-1-(1H-pyrazol-4-yl)propan-1-imine
PubChem CID136660599
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name2-methoxy-1-(1H-pyrazol-4-yl)propan-1-imine
SMILES[H]/N=C(/c1cn[nH]c1)C(C)OC
InChIInChI=1S/C7H11N3O/c1-5(11-2)7(8)6-3-9-10-4-6/h3-5,8H,1-2H3,(H,9,10)/b8-7+
InChIKeyBWYLMIZOBADOPW-BQYQJAHWSA-N
XLogP0.81
TPSA61.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(1H-pyrazol-4-yl)propan-1-imine?
The IUPAC name of 2-methoxy-1-(1H-pyrazol-4-yl)propan-1-imine (CID 136660599) is 2-methoxy-1-(1H-pyrazol-4-yl)propan-1-imine.
What is the SMILES notation for 2-methoxy-1-(1H-pyrazol-4-yl)propan-1-imine?
The canonical SMILES for 2-methoxy-1-(1H-pyrazol-4-yl)propan-1-imine is [H]/N=C(/c1cn[nH]c1)C(C)OC.
What is the InChIKey of 2-methoxy-1-(1H-pyrazol-4-yl)propan-1-imine?
The InChIKey is BWYLMIZOBADOPW-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H11N3O/c1-5(11-2)7(8)6-3-9-10-4-6/h3-5,8H,1-2H3,(H,9,10)/b8-7+.
What are the key properties of 2-methoxy-1-(1H-pyrazol-4-yl)propan-1-imine?
2-methoxy-1-(1H-pyrazol-4-yl)propan-1-imine has a molecular weight of 153.19 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(1H-pyrazol-4-yl)propan-1-imine is sourced from PubChem (CID 136660599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).