(E)-1-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-N-morpholin-4-ylmethanimine

C16H19N5O4 — CID 6882087

IUPAC(E)-1-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-N-morpholin-4-ylmethanimine
SMILESCOc1ccc(/C=N/N2CCOCC2)cc1Cn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C16H19N5O4/c1-24-16-3-2-13(9-17-19-4-6-25-7-5-19)8-14(16)11-20-12-15(10-18-20)21(22)23/h2-3,8-10,12H,4-7,11H2,1H3/b17-9+
InChIKeyBSOBZLXXRLUSJT-RQZCQDPDSA-N
MW345.36 g/mol
LogP1.51
Rot. Bonds6

About (E)-1-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-N-morpholin-4-ylmethanimine

(E)-1-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-N-morpholin-4-ylmethanimine (PubChem CID 6882087) has the molecular formula C16H19N5O4 and a molecular weight of 345.36 g/mol. Its IUPAC name is (E)-1-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-N-morpholin-4-ylmethanimine.

Molecular Properties

Compound Name(E)-1-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-N-morpholin-4-ylmethanimine
PubChem CID6882087
Molecular FormulaC16H19N5O4
Molecular Weight345.36 g/mol
Exact Mass345.14
IUPAC Name(E)-1-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-N-morpholin-4-ylmethanimine
SMILESCOc1ccc(/C=N/N2CCOCC2)cc1Cn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C16H19N5O4/c1-24-16-3-2-13(9-17-19-4-6-25-7-5-19)8-14(16)11-20-12-15(10-18-20)21(22)23/h2-3,8-10,12H,4-7,11H2,1H3/b17-9+
InChIKeyBSOBZLXXRLUSJT-RQZCQDPDSA-N
XLogP1.51
TPSA95.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-1-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-N-morpholin-4-ylmethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-1-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-N-morpholin-4-ylmethanimine?
The IUPAC name of (E)-1-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-N-morpholin-4-ylmethanimine (CID 6882087) is (E)-1-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-N-morpholin-4-ylmethanimine.
What is the SMILES notation for (E)-1-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-N-morpholin-4-ylmethanimine?
The canonical SMILES for (E)-1-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-N-morpholin-4-ylmethanimine is COc1ccc(/C=N/N2CCOCC2)cc1Cn1cc([N+](=O)[O-])cn1.
What is the InChIKey of (E)-1-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-N-morpholin-4-ylmethanimine?
The InChIKey is BSOBZLXXRLUSJT-RQZCQDPDSA-N. The full InChI is InChI=1S/C16H19N5O4/c1-24-16-3-2-13(9-17-19-4-6-25-7-5-19)8-14(16)11-20-12-15(10-18-20)21(22)23/h2-3,8-10,12H,4-7,11H2,1H3/b17-9+.
What are the key properties of (E)-1-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-N-morpholin-4-ylmethanimine?
(E)-1-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-N-morpholin-4-ylmethanimine has a molecular weight of 345.36 g/mol, XLogP of 1.51, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-N-morpholin-4-ylmethanimine is sourced from PubChem (CID 6882087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).