ethyl 3-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-2,3-dihydroxypropanoate

C14H15FN2O4 — CID 171867486

IUPACethyl 3-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-2,3-dihydroxypropanoate
SMILESCCOC(=O)C(O)C(O)c1cn[nH]c1-c1cccc(F)c1
InChIInChI=1S/C14H15FN2O4/c1-2-21-14(20)13(19)12(18)10-7-16-17-11(10)8-4-3-5-9(15)6-8/h3-7,12-13,18-19H,2H2,1H3,(H,16,17)
InChIKeyINMYCXXQMYEQTC-UHFFFAOYSA-N
MW294.28 g/mol
LogP1.17
Rot. Bonds5

About ethyl 3-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-2,3-dihydroxypropanoate

ethyl 3-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-2,3-dihydroxypropanoate (PubChem CID 171867486) has the molecular formula C14H15FN2O4 and a molecular weight of 294.28 g/mol. Its IUPAC name is ethyl 3-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-2,3-dihydroxypropanoate.

Molecular Properties

Compound Nameethyl 3-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-2,3-dihydroxypropanoate
PubChem CID171867486
Molecular FormulaC14H15FN2O4
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC Nameethyl 3-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-2,3-dihydroxypropanoate
SMILESCCOC(=O)C(O)C(O)c1cn[nH]c1-c1cccc(F)c1
InChIInChI=1S/C14H15FN2O4/c1-2-21-14(20)13(19)12(18)10-7-16-17-11(10)8-4-3-5-9(15)6-8/h3-7,12-13,18-19H,2H2,1H3,(H,16,17)
InChIKeyINMYCXXQMYEQTC-UHFFFAOYSA-N
XLogP1.17
TPSA95.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-2,3-dihydroxypropanoate?
The IUPAC name of ethyl 3-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-2,3-dihydroxypropanoate (CID 171867486) is ethyl 3-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-2,3-dihydroxypropanoate.
What is the SMILES notation for ethyl 3-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-2,3-dihydroxypropanoate?
The canonical SMILES for ethyl 3-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-2,3-dihydroxypropanoate is CCOC(=O)C(O)C(O)c1cn[nH]c1-c1cccc(F)c1.
What is the InChIKey of ethyl 3-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-2,3-dihydroxypropanoate?
The InChIKey is INMYCXXQMYEQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O4/c1-2-21-14(20)13(19)12(18)10-7-16-17-11(10)8-4-3-5-9(15)6-8/h3-7,12-13,18-19H,2H2,1H3,(H,16,17).
What are the key properties of ethyl 3-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-2,3-dihydroxypropanoate?
ethyl 3-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-2,3-dihydroxypropanoate has a molecular weight of 294.28 g/mol, XLogP of 1.17, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-2,3-dihydroxypropanoate is sourced from PubChem (CID 171867486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).