ethyl 2-[3-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-1-yl]acetate

C15H15F3N2O2 — CID 11243877

IUPACethyl 2-[3-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-1-yl]acetate
SMILESCCOC(=O)Cn1nc(C)c(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C15H15F3N2O2/c1-3-22-12(21)9-20-14(15(16,17)18)13(10(2)19-20)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3
InChIKeyJUPFIPIDAQYGPL-UHFFFAOYSA-N
MW312.29 g/mol
LogP3.44
Rot. Bonds4

About ethyl 2-[3-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-1-yl]acetate

ethyl 2-[3-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-1-yl]acetate (PubChem CID 11243877) has the molecular formula C15H15F3N2O2 and a molecular weight of 312.29 g/mol. Its IUPAC name is ethyl 2-[3-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-1-yl]acetate
PubChem CID11243877
Molecular FormulaC15H15F3N2O2
Molecular Weight312.29 g/mol
Exact Mass312.11
IUPAC Nameethyl 2-[3-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-1-yl]acetate
SMILESCCOC(=O)Cn1nc(C)c(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C15H15F3N2O2/c1-3-22-12(21)9-20-14(15(16,17)18)13(10(2)19-20)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3
InChIKeyJUPFIPIDAQYGPL-UHFFFAOYSA-N
XLogP3.44
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 2-[3-(2,5-difluorophenyl)indazol-1-yl]acetate
CID 73506262
CID 73507351
CID 73507351
(3,5-Diphenyl-pyrazol-1-yl)-acetic acid
CID 824607
Methyl 2-[3-(2,6-difluorophenyl)indazol-1-yl]acetate
CID 73506475
Methyl 2-[3-(2,3-difluorophenyl)indazol-1-yl]acetate
CID 73506477
Methyl 2-[3-[3-(trifluoromethyl)phenyl]indazol-1-yl]acetate
CID 73506914
Methyl 2-[3-[2-(trifluoromethyl)phenyl]indazol-1-yl]acetate
CID 73505835
Methyl 2-[3-(2,4-difluorophenyl)indazol-1-yl]acetate
CID 73506913
ethyl 2-[3-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetate
CID 164628567
3-[4-(Trifluoromethyl)phenyl]-1H-indazole-1-acetic acid methyl ester
CID 49835854
Ethyl 2-[5-methyl-4-[2-[4-(trifluoromethyl)anilino]phenyl]pyrazol-1-yl]acetate
CID 135372204
Ethyl 2-[5-methyl-4-[2-[3-(trifluoromethyl)anilino]phenyl]pyrazol-1-yl]acetate
CID 135373196

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-1-yl]acetate?
The IUPAC name of ethyl 2-[3-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-1-yl]acetate (CID 11243877) is ethyl 2-[3-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-1-yl]acetate is CCOC(=O)Cn1nc(C)c(-c2ccccc2)c1C(F)(F)F.
What is the InChIKey of ethyl 2-[3-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-1-yl]acetate?
The InChIKey is JUPFIPIDAQYGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O2/c1-3-22-12(21)9-20-14(15(16,17)18)13(10(2)19-20)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3.
What are the key properties of ethyl 2-[3-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-1-yl]acetate?
ethyl 2-[3-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-1-yl]acetate has a molecular weight of 312.29 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-1-yl]acetate is sourced from PubChem (CID 11243877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).