methyl (Z)-3-methoxy-2-[5-[4-(methoxymethyl)pyrazol-1-yl]-2-methylphenoxy]prop-2-enoate

C17H20N2O5 — CID 162486682

IUPACmethyl (Z)-3-methoxy-2-[5-[4-(methoxymethyl)pyrazol-1-yl]-2-methylphenoxy]prop-2-enoate
SMILESCO/C=C(\Oc1cc(-n2cc(COC)cn2)ccc1C)C(=O)OC
InChIInChI=1S/C17H20N2O5/c1-12-5-6-14(19-9-13(8-18-19)10-21-2)7-15(12)24-16(11-22-3)17(20)23-4/h5-9,11H,10H2,1-4H3/b16-11-
InChIKeyZNMMIVOTTVTHAV-WJDWOHSUSA-N
MW332.36 g/mol
LogP2.37
Rot. Bonds7

About methyl (Z)-3-methoxy-2-[5-[4-(methoxymethyl)pyrazol-1-yl]-2-methylphenoxy]prop-2-enoate

methyl (Z)-3-methoxy-2-[5-[4-(methoxymethyl)pyrazol-1-yl]-2-methylphenoxy]prop-2-enoate (PubChem CID 162486682) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is methyl (Z)-3-methoxy-2-[5-[4-(methoxymethyl)pyrazol-1-yl]-2-methylphenoxy]prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-methoxy-2-[5-[4-(methoxymethyl)pyrazol-1-yl]-2-methylphenoxy]prop-2-enoate
PubChem CID162486682
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Namemethyl (Z)-3-methoxy-2-[5-[4-(methoxymethyl)pyrazol-1-yl]-2-methylphenoxy]prop-2-enoate
SMILESCO/C=C(\Oc1cc(-n2cc(COC)cn2)ccc1C)C(=O)OC
InChIInChI=1S/C17H20N2O5/c1-12-5-6-14(19-9-13(8-18-19)10-21-2)7-15(12)24-16(11-22-3)17(20)23-4/h5-9,11H,10H2,1-4H3/b16-11-
InChIKeyZNMMIVOTTVTHAV-WJDWOHSUSA-N
XLogP2.37
TPSA71.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-methoxy-2-[5-[4-(methoxymethyl)pyrazol-1-yl]-2-methylphenoxy]prop-2-enoate?
The IUPAC name of methyl (Z)-3-methoxy-2-[5-[4-(methoxymethyl)pyrazol-1-yl]-2-methylphenoxy]prop-2-enoate (CID 162486682) is methyl (Z)-3-methoxy-2-[5-[4-(methoxymethyl)pyrazol-1-yl]-2-methylphenoxy]prop-2-enoate.
What is the SMILES notation for methyl (Z)-3-methoxy-2-[5-[4-(methoxymethyl)pyrazol-1-yl]-2-methylphenoxy]prop-2-enoate?
The canonical SMILES for methyl (Z)-3-methoxy-2-[5-[4-(methoxymethyl)pyrazol-1-yl]-2-methylphenoxy]prop-2-enoate is CO/C=C(\Oc1cc(-n2cc(COC)cn2)ccc1C)C(=O)OC.
What is the InChIKey of methyl (Z)-3-methoxy-2-[5-[4-(methoxymethyl)pyrazol-1-yl]-2-methylphenoxy]prop-2-enoate?
The InChIKey is ZNMMIVOTTVTHAV-WJDWOHSUSA-N. The full InChI is InChI=1S/C17H20N2O5/c1-12-5-6-14(19-9-13(8-18-19)10-21-2)7-15(12)24-16(11-22-3)17(20)23-4/h5-9,11H,10H2,1-4H3/b16-11-.
What are the key properties of methyl (Z)-3-methoxy-2-[5-[4-(methoxymethyl)pyrazol-1-yl]-2-methylphenoxy]prop-2-enoate?
methyl (Z)-3-methoxy-2-[5-[4-(methoxymethyl)pyrazol-1-yl]-2-methylphenoxy]prop-2-enoate has a molecular weight of 332.36 g/mol, XLogP of 2.37, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-methoxy-2-[5-[4-(methoxymethyl)pyrazol-1-yl]-2-methylphenoxy]prop-2-enoate is sourced from PubChem (CID 162486682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).