methyl (Z)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoate

C20H18N2O3 — CID 2178186

IUPACmethyl (Z)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoate
SMILESCOC(=O)/C=C\c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1
InChIInChI=1S/C20H18N2O3/c1-24-18-11-8-15(9-12-18)20-16(10-13-19(23)25-2)14-22(21-20)17-6-4-3-5-7-17/h3-14H,1-2H3/b13-10-
InChIKeyZHFRCYGEEWIICN-RAXLEYEMSA-N
MW334.38 g/mol
LogP3.73
Rot. Bonds5

About methyl (Z)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoate

methyl (Z)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoate (PubChem CID 2178186) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is methyl (Z)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoate
PubChem CID2178186
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Namemethyl (Z)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoate
SMILESCOC(=O)/C=C\c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1
InChIInChI=1S/C20H18N2O3/c1-24-18-11-8-15(9-12-18)20-16(10-13-19(23)25-2)14-22(21-20)17-6-4-3-5-7-17/h3-14H,1-2H3/b13-10-
InChIKeyZHFRCYGEEWIICN-RAXLEYEMSA-N
XLogP3.73
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoate?
The IUPAC name of methyl (Z)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoate (CID 2178186) is methyl (Z)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoate.
What is the SMILES notation for methyl (Z)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoate?
The canonical SMILES for methyl (Z)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoate is COC(=O)/C=C\c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1.
What is the InChIKey of methyl (Z)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoate?
The InChIKey is ZHFRCYGEEWIICN-RAXLEYEMSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-24-18-11-8-15(9-12-18)20-16(10-13-19(23)25-2)14-22(21-20)17-6-4-3-5-7-17/h3-14H,1-2H3/b13-10-.
What are the key properties of methyl (Z)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoate?
methyl (Z)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoate has a molecular weight of 334.38 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoate is sourced from PubChem (CID 2178186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).