ethyl 1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxylate

C13H13FN2O3 — CID 66610952

IUPACethyl 1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccc(F)cc2C)cc1O
InChIInChI=1S/C13H13FN2O3/c1-3-19-13(18)12-11(17)7-16(15-12)10-5-4-9(14)6-8(10)2/h4-7,17H,3H2,1-2H3
InChIKeyUMDZQCKYHGQXDH-UHFFFAOYSA-N
MW264.26 g/mol
LogP2.20
Rot. Bonds3

About ethyl 1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxylate

ethyl 1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxylate (PubChem CID 66610952) has the molecular formula C13H13FN2O3 and a molecular weight of 264.26 g/mol. Its IUPAC name is ethyl 1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxylate
PubChem CID66610952
Molecular FormulaC13H13FN2O3
Molecular Weight264.26 g/mol
Exact Mass264.09
IUPAC Nameethyl 1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccc(F)cc2C)cc1O
InChIInChI=1S/C13H13FN2O3/c1-3-19-13(18)12-11(17)7-16(15-12)10-5-4-9(14)6-8(10)2/h4-7,17H,3H2,1-2H3
InChIKeyUMDZQCKYHGQXDH-UHFFFAOYSA-N
XLogP2.20
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxylate?
The IUPAC name of ethyl 1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxylate (CID 66610952) is ethyl 1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxylate.
What is the SMILES notation for ethyl 1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxylate?
The canonical SMILES for ethyl 1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxylate is CCOC(=O)c1nn(-c2ccc(F)cc2C)cc1O.
What is the InChIKey of ethyl 1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxylate?
The InChIKey is UMDZQCKYHGQXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O3/c1-3-19-13(18)12-11(17)7-16(15-12)10-5-4-9(14)6-8(10)2/h4-7,17H,3H2,1-2H3.
What are the key properties of ethyl 1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxylate?
ethyl 1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxylate has a molecular weight of 264.26 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxylate is sourced from PubChem (CID 66610952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).