methyl 2-phenyl-3-pyrazol-1-ylpropanoate

C13H14N2O2 — CID 64567255

IUPACmethyl 2-phenyl-3-pyrazol-1-ylpropanoate
SMILESCOC(=O)C(Cn1cccn1)c1ccccc1
InChIInChI=1S/C13H14N2O2/c1-17-13(16)12(10-15-9-5-8-14-15)11-6-3-2-4-7-11/h2-9,12H,10H2,1H3
InChIKeySFONWBIJZCAKCG-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.84
Rot. Bonds4

About methyl 2-phenyl-3-pyrazol-1-ylpropanoate

methyl 2-phenyl-3-pyrazol-1-ylpropanoate (PubChem CID 64567255) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is methyl 2-phenyl-3-pyrazol-1-ylpropanoate.

Molecular Properties

Compound Namemethyl 2-phenyl-3-pyrazol-1-ylpropanoate
PubChem CID64567255
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Namemethyl 2-phenyl-3-pyrazol-1-ylpropanoate
SMILESCOC(=O)C(Cn1cccn1)c1ccccc1
InChIInChI=1S/C13H14N2O2/c1-17-13(16)12(10-15-9-5-8-14-15)11-6-3-2-4-7-11/h2-9,12H,10H2,1H3
InChIKeySFONWBIJZCAKCG-UHFFFAOYSA-N
XLogP1.84
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-phenyl-3-pyrazol-1-ylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-(3-methylpyrazol-1-yl)-2-phenylpropanoate
CID 64565827
methyl 2-benzyl-3-pyrazol-1-ylpropanoate
CID 22910248
methyl (2R)-2-methyl-3-pyrazol-1-ylpropanoate
CID 42574632
methyl 2-phenyl-3-(2-propan-2-ylimidazol-1-yl)propanoate
CID 64564775
methyl (2R)-3-amino-2-phenylpropanoate
CID 7183129
methyl 3-methylsulfinyl-2-phenylpropanoate
CID 64559431
(2S)-2-phenyl-4-pyrazol-1-ylbutanoic acid
CID 70199884
(1R)-1-phenyl-2-pyrazol-1-ylethanol
CID 712326
methyl 4-amino-2-phenylpentanoate
CID 57041145
methyl 2-phenyl-3-trimethylsilyloxypropanoate
CID 552740
methyl 2-phenylheptanoate
CID 143443478
methyl 4-amino-2-phenylbutanoate;hydrochloride
CID 66905089

Frequently Asked Questions

What is the IUPAC name of methyl 2-phenyl-3-pyrazol-1-ylpropanoate?
The IUPAC name of methyl 2-phenyl-3-pyrazol-1-ylpropanoate (CID 64567255) is methyl 2-phenyl-3-pyrazol-1-ylpropanoate.
What is the SMILES notation for methyl 2-phenyl-3-pyrazol-1-ylpropanoate?
The canonical SMILES for methyl 2-phenyl-3-pyrazol-1-ylpropanoate is COC(=O)C(Cn1cccn1)c1ccccc1.
What is the InChIKey of methyl 2-phenyl-3-pyrazol-1-ylpropanoate?
The InChIKey is SFONWBIJZCAKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-17-13(16)12(10-15-9-5-8-14-15)11-6-3-2-4-7-11/h2-9,12H,10H2,1H3.
What are the key properties of methyl 2-phenyl-3-pyrazol-1-ylpropanoate?
methyl 2-phenyl-3-pyrazol-1-ylpropanoate has a molecular weight of 230.27 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-phenyl-3-pyrazol-1-ylpropanoate is sourced from PubChem (CID 64567255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).