ethyl 5-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-3-carboxylate

C14H15FN2O3 — CID 42878869

IUPACethyl 5-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(OC)cc2F)n(C)n1
InChIInChI=1S/C14H15FN2O3/c1-4-20-14(18)12-8-13(17(2)16-12)10-6-5-9(19-3)7-11(10)15/h5-8H,4H2,1-3H3
InChIKeyBFKVAPQMMUWJEI-UHFFFAOYSA-N
MW278.28 g/mol
LogP2.41
Rot. Bonds4

About ethyl 5-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-3-carboxylate

ethyl 5-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-3-carboxylate (PubChem CID 42878869) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is ethyl 5-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-3-carboxylate
PubChem CID42878869
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC Nameethyl 5-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(OC)cc2F)n(C)n1
InChIInChI=1S/C14H15FN2O3/c1-4-20-14(18)12-8-13(17(2)16-12)10-6-5-9(19-3)7-11(10)15/h5-8H,4H2,1-3H3
InChIKeyBFKVAPQMMUWJEI-UHFFFAOYSA-N
XLogP2.41
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-fluoro-4-methoxyphenyl)-1-methyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 46105032
ethyl 5-(5-chloro-2-methoxyphenyl)-1-methylpyrazole-3-carboxylate
CID 118562617
ethyl 5-(3,4-difluorophenyl)-1-methylpyrazole-3-carboxylate
CID 42878867
N-cyclohexyl-5-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 46171275
ethyl 5-fluoro-1-methylpyrazole-3-carboxylate
CID 155722987
N-(2,6-difluoro-4-methoxyphenyl)-5-(2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 90271659
ethyl 5-[2-cyclopropyl-5-(trifluoromethoxy)phenyl]-1-methylpyrazole-3-carboxylate
CID 90277058
ethyl 5-(2-fluoro-4-methoxyphenyl)-4-methyl-1,2-oxazole-3-carboxylate
CID 123400941
5-(2-chloro-4-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 82304558
ethyl 5-(3,4-dichlorophenyl)-1-methylpyrazole-3-carboxylate
CID 67452186
ethyl 5-(7-fluoroimidazo[1,2-a]pyridin-2-yl)-1-methylpyrazole-3-carboxylate
CID 66988702
ethyl 5-(3,5-dichlorophenyl)-1-methylpyrazole-3-carboxylate
CID 75176283

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-3-carboxylate?
The IUPAC name of ethyl 5-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-3-carboxylate (CID 42878869) is ethyl 5-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-3-carboxylate?
The canonical SMILES for ethyl 5-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-3-carboxylate is CCOC(=O)c1cc(-c2ccc(OC)cc2F)n(C)n1.
What is the InChIKey of ethyl 5-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-3-carboxylate?
The InChIKey is BFKVAPQMMUWJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3/c1-4-20-14(18)12-8-13(17(2)16-12)10-6-5-9(19-3)7-11(10)15/h5-8H,4H2,1-3H3.
What are the key properties of ethyl 5-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-3-carboxylate?
ethyl 5-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-3-carboxylate has a molecular weight of 278.28 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-3-carboxylate is sourced from PubChem (CID 42878869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).