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

C16H18N2O5 — CID 162486622

IUPACmethyl (Z)-3-methoxy-2-[5-(3-methoxypyrazol-1-yl)-2-methylphenoxy]prop-2-enoate
SMILESCO/C=C(\Oc1cc(-n2ccc(OC)n2)ccc1C)C(=O)OC
InChIInChI=1S/C16H18N2O5/c1-11-5-6-12(18-8-7-15(17-18)21-3)9-13(11)23-14(10-20-2)16(19)22-4/h5-10H,1-4H3/b14-10-
InChIKeyAEJZLRADMQPHDH-UVTDQMKNSA-N
MW318.33 g/mol
LogP2.23
Rot. Bonds6

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

methyl (Z)-3-methoxy-2-[5-(3-methoxypyrazol-1-yl)-2-methylphenoxy]prop-2-enoate (PubChem CID 162486622) has the molecular formula C16H18N2O5 and a molecular weight of 318.33 g/mol. Its IUPAC name is methyl (Z)-3-methoxy-2-[5-(3-methoxypyrazol-1-yl)-2-methylphenoxy]prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-methoxy-2-[5-(3-methoxypyrazol-1-yl)-2-methylphenoxy]prop-2-enoate
PubChem CID162486622
Molecular FormulaC16H18N2O5
Molecular Weight318.33 g/mol
Exact Mass318.12
IUPAC Namemethyl (Z)-3-methoxy-2-[5-(3-methoxypyrazol-1-yl)-2-methylphenoxy]prop-2-enoate
SMILESCO/C=C(\Oc1cc(-n2ccc(OC)n2)ccc1C)C(=O)OC
InChIInChI=1S/C16H18N2O5/c1-11-5-6-12(18-8-7-15(17-18)21-3)9-13(11)23-14(10-20-2)16(19)22-4/h5-10H,1-4H3/b14-10-
InChIKeyAEJZLRADMQPHDH-UVTDQMKNSA-N
XLogP2.23
TPSA71.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.23
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-(3-methoxypyrazol-1-yl)-2-methylphenoxy]prop-2-enoate?
The IUPAC name of methyl (Z)-3-methoxy-2-[5-(3-methoxypyrazol-1-yl)-2-methylphenoxy]prop-2-enoate (CID 162486622) is methyl (Z)-3-methoxy-2-[5-(3-methoxypyrazol-1-yl)-2-methylphenoxy]prop-2-enoate.
What is the SMILES notation for methyl (Z)-3-methoxy-2-[5-(3-methoxypyrazol-1-yl)-2-methylphenoxy]prop-2-enoate?
The canonical SMILES for methyl (Z)-3-methoxy-2-[5-(3-methoxypyrazol-1-yl)-2-methylphenoxy]prop-2-enoate is CO/C=C(\Oc1cc(-n2ccc(OC)n2)ccc1C)C(=O)OC.
What is the InChIKey of methyl (Z)-3-methoxy-2-[5-(3-methoxypyrazol-1-yl)-2-methylphenoxy]prop-2-enoate?
The InChIKey is AEJZLRADMQPHDH-UVTDQMKNSA-N. The full InChI is InChI=1S/C16H18N2O5/c1-11-5-6-12(18-8-7-15(17-18)21-3)9-13(11)23-14(10-20-2)16(19)22-4/h5-10H,1-4H3/b14-10-.
What are the key properties of methyl (Z)-3-methoxy-2-[5-(3-methoxypyrazol-1-yl)-2-methylphenoxy]prop-2-enoate?
methyl (Z)-3-methoxy-2-[5-(3-methoxypyrazol-1-yl)-2-methylphenoxy]prop-2-enoate has a molecular weight of 318.33 g/mol, XLogP of 2.23, 6 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-(3-methoxypyrazol-1-yl)-2-methylphenoxy]prop-2-enoate is sourced from PubChem (CID 162486622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).