methyl 3-(3-methylpyrazol-1-yl)-2-phenylpropanoate

C14H16N2O2 — CID 64565827

IUPACmethyl 3-(3-methylpyrazol-1-yl)-2-phenylpropanoate
SMILESCOC(=O)C(Cn1ccc(C)n1)c1ccccc1
InChIInChI=1S/C14H16N2O2/c1-11-8-9-16(15-11)10-13(14(17)18-2)12-6-4-3-5-7-12/h3-9,13H,10H2,1-2H3
InChIKeyMJOBKZUAFHSUCI-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.15
Rot. Bonds4

About methyl 3-(3-methylpyrazol-1-yl)-2-phenylpropanoate

methyl 3-(3-methylpyrazol-1-yl)-2-phenylpropanoate (PubChem CID 64565827) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is methyl 3-(3-methylpyrazol-1-yl)-2-phenylpropanoate.

Molecular Properties

Compound Namemethyl 3-(3-methylpyrazol-1-yl)-2-phenylpropanoate
PubChem CID64565827
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Namemethyl 3-(3-methylpyrazol-1-yl)-2-phenylpropanoate
SMILESCOC(=O)C(Cn1ccc(C)n1)c1ccccc1
InChIInChI=1S/C14H16N2O2/c1-11-8-9-16(15-11)10-13(14(17)18-2)12-6-4-3-5-7-12/h3-9,13H,10H2,1-2H3
InChIKeyMJOBKZUAFHSUCI-UHFFFAOYSA-N
XLogP2.15
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-phenyl-3-pyrazol-1-ylpropanoate
CID 64567255
methyl 2-acetamido-3-(3-methylpyrazol-1-yl)propanoate
CID 65442631
methyl (2R)-3-amino-2-phenylpropanoate
CID 7183129
methyl 3-methylsulfinyl-2-phenylpropanoate
CID 64559431
methyl 3-(benzimidazol-1-yl)-2-phenylpropanoate
CID 64567462
methyl 2-phenyl-3-(2-propan-2-ylimidazol-1-yl)propanoate
CID 64564775
methyl 4-amino-2-phenylpentanoate
CID 57041145
methyl 2-phenyl-3-trimethylsilyloxypropanoate
CID 552740
methyl 4-amino-2-phenylbutanoate;hydrochloride
CID 66905089
methyl 3-[ethyl(methyl)amino]-2-phenylpropanoate
CID 64567687
methyl 3-methylsulfonyl-2-phenylpropanoate
CID 64560571
methyl 6-oxo-2,5-diphenylhexanoate
CID 175142316

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-methylpyrazol-1-yl)-2-phenylpropanoate?
The IUPAC name of methyl 3-(3-methylpyrazol-1-yl)-2-phenylpropanoate (CID 64565827) is methyl 3-(3-methylpyrazol-1-yl)-2-phenylpropanoate.
What is the SMILES notation for methyl 3-(3-methylpyrazol-1-yl)-2-phenylpropanoate?
The canonical SMILES for methyl 3-(3-methylpyrazol-1-yl)-2-phenylpropanoate is COC(=O)C(Cn1ccc(C)n1)c1ccccc1.
What is the InChIKey of methyl 3-(3-methylpyrazol-1-yl)-2-phenylpropanoate?
The InChIKey is MJOBKZUAFHSUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-11-8-9-16(15-11)10-13(14(17)18-2)12-6-4-3-5-7-12/h3-9,13H,10H2,1-2H3.
What are the key properties of methyl 3-(3-methylpyrazol-1-yl)-2-phenylpropanoate?
methyl 3-(3-methylpyrazol-1-yl)-2-phenylpropanoate has a molecular weight of 244.29 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-methylpyrazol-1-yl)-2-phenylpropanoate is sourced from PubChem (CID 64565827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).