ethyl 5-(4-fluorophenyl)-1,4-dimethylpyrazole-3-carboxylate

C14H15FN2O2 — CID 68709761

IUPACethyl 5-(4-fluorophenyl)-1,4-dimethylpyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(C)c(-c2ccc(F)cc2)c1C
InChIInChI=1S/C14H15FN2O2/c1-4-19-14(18)12-9(2)13(17(3)16-12)10-5-7-11(15)8-6-10/h5-8H,4H2,1-3H3
InChIKeyIGBOLYFJJIBZJE-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.71
Rot. Bonds3

About ethyl 5-(4-fluorophenyl)-1,4-dimethylpyrazole-3-carboxylate

ethyl 5-(4-fluorophenyl)-1,4-dimethylpyrazole-3-carboxylate (PubChem CID 68709761) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is ethyl 5-(4-fluorophenyl)-1,4-dimethylpyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-fluorophenyl)-1,4-dimethylpyrazole-3-carboxylate
PubChem CID68709761
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Nameethyl 5-(4-fluorophenyl)-1,4-dimethylpyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(C)c(-c2ccc(F)cc2)c1C
InChIInChI=1S/C14H15FN2O2/c1-4-19-14(18)12-9(2)13(17(3)16-12)10-5-7-11(15)8-6-10/h5-8H,4H2,1-3H3
InChIKeyIGBOLYFJJIBZJE-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl 3-(4-fluorophenyl)-1-methylpyrazole-5-carboxylate
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ethyl 1-(2,2-difluoroethyl)-5-(4-fluorophenyl)triazole-4-carboxylate
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ethyl 1-methyl-5-(4-methylphenyl)imidazole-4-carboxylate
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ethyl 2-(4-fluorophenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 43445087
ethyl 1-(3,5-difluorophenyl)-4-(4-fluorophenyl)pyrazole-3-carboxylate
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ethyl 4-fluoro-1-methyl-5-phenylsulfanylpyrazole-3-carboxylate
CID 102407022
ethyl 5-cyano-1-(4-fluorophenyl)-4-methyl-6-oxopyridazine-3-carboxylate
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CID 172552622

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-fluorophenyl)-1,4-dimethylpyrazole-3-carboxylate?
The IUPAC name of ethyl 5-(4-fluorophenyl)-1,4-dimethylpyrazole-3-carboxylate (CID 68709761) is ethyl 5-(4-fluorophenyl)-1,4-dimethylpyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(4-fluorophenyl)-1,4-dimethylpyrazole-3-carboxylate?
The canonical SMILES for ethyl 5-(4-fluorophenyl)-1,4-dimethylpyrazole-3-carboxylate is CCOC(=O)c1nn(C)c(-c2ccc(F)cc2)c1C.
What is the InChIKey of ethyl 5-(4-fluorophenyl)-1,4-dimethylpyrazole-3-carboxylate?
The InChIKey is IGBOLYFJJIBZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-4-19-14(18)12-9(2)13(17(3)16-12)10-5-7-11(15)8-6-10/h5-8H,4H2,1-3H3.
What are the key properties of ethyl 5-(4-fluorophenyl)-1,4-dimethylpyrazole-3-carboxylate?
ethyl 5-(4-fluorophenyl)-1,4-dimethylpyrazole-3-carboxylate has a molecular weight of 262.28 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-fluorophenyl)-1,4-dimethylpyrazole-3-carboxylate is sourced from PubChem (CID 68709761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).