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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Related Compounds

methyl (Z)-2-[5-(3-chloropyrazol-1-yl)-2-methylphenoxy]-3-methoxyprop-2-enoate
CID 162486638
methyl (Z)-3-methoxy-2-[5-(3-methoxypyrazol-1-yl)-2-methylphenoxy]prop-2-enoate
CID 162486622
methyl (Z)-2-[5-[3-[chloro(difluoro)methyl]pyrazol-1-yl]-2-methylphenoxy]-3-methoxyprop-2-enoate
CID 162486657
methyl (Z)-2-(5-amino-2-methylphenoxy)-3-methoxyprop-2-enoate
CID 163608092
methyl (Z)-2-[5-[4-[1-(ethoxyamino)propan-2-yl]triazol-2-yl]-2-methylphenoxy]-3-methoxyprop-2-enoate
CID 166858442
(Z)-3-methoxy-2-[2-methyl-5-(3-propan-2-ylpyrazol-1-yl)phenoxy]prop-2-enoic acid
CID 166722222
methyl (Z)-2-[2,4-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]phenoxy]-3-methoxyprop-2-enoate
CID 162486625
methyl 2-[5-[N-[[(2,3-dimethylphenyl)-dimethylsilyl]methoxy]-C-methylcarbonimidoyl]-2-methylphenoxy]-3-methoxyprop-2-enoate
CID 139842992
N-[3-(methoxymethyl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 32639224
[1-(4-bromo-3-methoxyphenyl)pyrazol-4-yl]methanol
CID 86710564
1-[3-(methoxymethyl)phenyl]-3-[2-(1-phenylpyrazol-4-yl)ethyl]urea
CID 86988677
N-[[1-(3-chloro-4-methylphenyl)pyrazol-4-yl]methyl]propan-1-amine
CID 61270360

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).