ethyl 1-(4-fluoro-2-methylphenyl)-5-methylpyrazole-4-carboxylate

C14H15FN2O2 — CID 55258068

IUPACethyl 1-(4-fluoro-2-methylphenyl)-5-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc(F)cc2C)c1C
InChIInChI=1S/C14H15FN2O2/c1-4-19-14(18)12-8-16-17(10(12)3)13-6-5-11(15)7-9(13)2/h5-8H,4H2,1-3H3
InChIKeyXSDQPERYDZQSHL-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.80
Rot. Bonds3

About ethyl 1-(4-fluoro-2-methylphenyl)-5-methylpyrazole-4-carboxylate

ethyl 1-(4-fluoro-2-methylphenyl)-5-methylpyrazole-4-carboxylate (PubChem CID 55258068) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is ethyl 1-(4-fluoro-2-methylphenyl)-5-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-fluoro-2-methylphenyl)-5-methylpyrazole-4-carboxylate
PubChem CID55258068
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Nameethyl 1-(4-fluoro-2-methylphenyl)-5-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc(F)cc2C)c1C
InChIInChI=1S/C14H15FN2O2/c1-4-19-14(18)12-8-16-17(10(12)3)13-6-5-11(15)7-9(13)2/h5-8H,4H2,1-3H3
InChIKeyXSDQPERYDZQSHL-UHFFFAOYSA-N
XLogP2.80
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-fluoro-2-methylphenyl)-5-methylpyrazole-4-carboxylate?
The IUPAC name of ethyl 1-(4-fluoro-2-methylphenyl)-5-methylpyrazole-4-carboxylate (CID 55258068) is ethyl 1-(4-fluoro-2-methylphenyl)-5-methylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-(4-fluoro-2-methylphenyl)-5-methylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-(4-fluoro-2-methylphenyl)-5-methylpyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccc(F)cc2C)c1C.
What is the InChIKey of ethyl 1-(4-fluoro-2-methylphenyl)-5-methylpyrazole-4-carboxylate?
The InChIKey is XSDQPERYDZQSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-4-19-14(18)12-8-16-17(10(12)3)13-6-5-11(15)7-9(13)2/h5-8H,4H2,1-3H3.
What are the key properties of ethyl 1-(4-fluoro-2-methylphenyl)-5-methylpyrazole-4-carboxylate?
ethyl 1-(4-fluoro-2-methylphenyl)-5-methylpyrazole-4-carboxylate has a molecular weight of 262.28 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-fluoro-2-methylphenyl)-5-methylpyrazole-4-carboxylate is sourced from PubChem (CID 55258068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).