methyl (Z)-3-methoxy-2-[3-(3-methylpyrazol-1-yl)phenoxy]prop-2-enoate

C15H16N2O4 — CID 162486656

IUPACmethyl (Z)-3-methoxy-2-[3-(3-methylpyrazol-1-yl)phenoxy]prop-2-enoate
SMILESCO/C=C(\Oc1cccc(-n2ccc(C)n2)c1)C(=O)OC
InChIInChI=1S/C15H16N2O4/c1-11-7-8-17(16-11)12-5-4-6-13(9-12)21-14(10-19-2)15(18)20-3/h4-10H,1-3H3/b14-10-
InChIKeyXZQLOTOGVUOUBF-UVTDQMKNSA-N
MW288.30 g/mol
LogP2.22
Rot. Bonds5

About methyl (Z)-3-methoxy-2-[3-(3-methylpyrazol-1-yl)phenoxy]prop-2-enoate

methyl (Z)-3-methoxy-2-[3-(3-methylpyrazol-1-yl)phenoxy]prop-2-enoate (PubChem CID 162486656) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is methyl (Z)-3-methoxy-2-[3-(3-methylpyrazol-1-yl)phenoxy]prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-methoxy-2-[3-(3-methylpyrazol-1-yl)phenoxy]prop-2-enoate
PubChem CID162486656
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Namemethyl (Z)-3-methoxy-2-[3-(3-methylpyrazol-1-yl)phenoxy]prop-2-enoate
SMILESCO/C=C(\Oc1cccc(-n2ccc(C)n2)c1)C(=O)OC
InChIInChI=1S/C15H16N2O4/c1-11-7-8-17(16-11)12-5-4-6-13(9-12)21-14(10-19-2)15(18)20-3/h4-10H,1-3H3/b14-10-
InChIKeyXZQLOTOGVUOUBF-UVTDQMKNSA-N
XLogP2.22
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[3-(3-methylpyrazol-1-yl)phenoxy]prop-2-enoate?
The IUPAC name of methyl (Z)-3-methoxy-2-[3-(3-methylpyrazol-1-yl)phenoxy]prop-2-enoate (CID 162486656) is methyl (Z)-3-methoxy-2-[3-(3-methylpyrazol-1-yl)phenoxy]prop-2-enoate.
What is the SMILES notation for methyl (Z)-3-methoxy-2-[3-(3-methylpyrazol-1-yl)phenoxy]prop-2-enoate?
The canonical SMILES for methyl (Z)-3-methoxy-2-[3-(3-methylpyrazol-1-yl)phenoxy]prop-2-enoate is CO/C=C(\Oc1cccc(-n2ccc(C)n2)c1)C(=O)OC.
What is the InChIKey of methyl (Z)-3-methoxy-2-[3-(3-methylpyrazol-1-yl)phenoxy]prop-2-enoate?
The InChIKey is XZQLOTOGVUOUBF-UVTDQMKNSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-11-7-8-17(16-11)12-5-4-6-13(9-12)21-14(10-19-2)15(18)20-3/h4-10H,1-3H3/b14-10-.
What are the key properties of methyl (Z)-3-methoxy-2-[3-(3-methylpyrazol-1-yl)phenoxy]prop-2-enoate?
methyl (Z)-3-methoxy-2-[3-(3-methylpyrazol-1-yl)phenoxy]prop-2-enoate has a molecular weight of 288.30 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-methoxy-2-[3-(3-methylpyrazol-1-yl)phenoxy]prop-2-enoate is sourced from PubChem (CID 162486656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).