ethyl 2-hydroxy-3-(3-pyrazol-1-ylphenyl)propanoate

C14H16N2O3 — CID 137463417

IUPACethyl 2-hydroxy-3-(3-pyrazol-1-ylphenyl)propanoate
SMILESCCOC(=O)C(O)Cc1cccc(-n2cccn2)c1
InChIInChI=1S/C14H16N2O3/c1-2-19-14(18)13(17)10-11-5-3-6-12(9-11)16-8-4-7-15-16/h3-9,13,17H,2,10H2,1H3
InChIKeyACCSNYJCIBXVJA-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.34
Rot. Bonds5

About ethyl 2-hydroxy-3-(3-pyrazol-1-ylphenyl)propanoate

ethyl 2-hydroxy-3-(3-pyrazol-1-ylphenyl)propanoate (PubChem CID 137463417) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is ethyl 2-hydroxy-3-(3-pyrazol-1-ylphenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-hydroxy-3-(3-pyrazol-1-ylphenyl)propanoate
PubChem CID137463417
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Nameethyl 2-hydroxy-3-(3-pyrazol-1-ylphenyl)propanoate
SMILESCCOC(=O)C(O)Cc1cccc(-n2cccn2)c1
InChIInChI=1S/C14H16N2O3/c1-2-19-14(18)13(17)10-11-5-3-6-12(9-11)16-8-4-7-15-16/h3-9,13,17H,2,10H2,1H3
InChIKeyACCSNYJCIBXVJA-UHFFFAOYSA-N
XLogP1.34
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (3S)-3-amino-3-(3-pyrazol-1-ylphenyl)propanoate
CID 140935403
ethyl 3-amino-3-(3-pyrazol-1-ylphenyl)propanoate
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ethyl N-(3-pyrazol-1-ylphenyl)carbamate
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ethyl 3-oxo-2-[(4-pyrazol-1-ylphenyl)methyl]pentanoate
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(3-pyrazol-1-ylphenyl)methanamine;hydrochloride
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ethyl 3-(3-pyrazol-1-ylphenyl)oxirane-2-carboxylate
CID 137462677
ethyl 4-benzyl-1-[(3-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxylate
CID 42593773
ethyl 2-hydroxy-2-(2-pyrazol-1-ylphenyl)acetate
CID 117367533
ethyl 3-pyrazol-1-ylbenzenecarboximidate
CID 175336696
(3-pyrazol-1-ylphenyl)methylazanium
CID 3258757
ethyl 4-[3-(3-ethoxy-2-hydroxy-3-oxopropyl)benzoyl]benzoate
CID 67780245

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-3-(3-pyrazol-1-ylphenyl)propanoate?
The IUPAC name of ethyl 2-hydroxy-3-(3-pyrazol-1-ylphenyl)propanoate (CID 137463417) is ethyl 2-hydroxy-3-(3-pyrazol-1-ylphenyl)propanoate.
What is the SMILES notation for ethyl 2-hydroxy-3-(3-pyrazol-1-ylphenyl)propanoate?
The canonical SMILES for ethyl 2-hydroxy-3-(3-pyrazol-1-ylphenyl)propanoate is CCOC(=O)C(O)Cc1cccc(-n2cccn2)c1.
What is the InChIKey of ethyl 2-hydroxy-3-(3-pyrazol-1-ylphenyl)propanoate?
The InChIKey is ACCSNYJCIBXVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-2-19-14(18)13(17)10-11-5-3-6-12(9-11)16-8-4-7-15-16/h3-9,13,17H,2,10H2,1H3.
What are the key properties of ethyl 2-hydroxy-3-(3-pyrazol-1-ylphenyl)propanoate?
ethyl 2-hydroxy-3-(3-pyrazol-1-ylphenyl)propanoate has a molecular weight of 260.29 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-3-(3-pyrazol-1-ylphenyl)propanoate is sourced from PubChem (CID 137463417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).