ethyl 5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylate

C14H13F3N2O2 — CID 46743357

IUPACethyl 5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(C)nn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H13F3N2O2/c1-3-21-13(20)12-7-9(2)18-19(12)11-6-4-5-10(8-11)14(15,16)17/h4-8H,3H2,1-2H3
InChIKeyRNZTUVYTJLEZPT-UHFFFAOYSA-N
MW298.26 g/mol
LogP3.38
Rot. Bonds3

About ethyl 5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylate

ethyl 5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylate (PubChem CID 46743357) has the molecular formula C14H13F3N2O2 and a molecular weight of 298.26 g/mol. Its IUPAC name is ethyl 5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylate
PubChem CID46743357
Molecular FormulaC14H13F3N2O2
Molecular Weight298.26 g/mol
Exact Mass298.09
IUPAC Nameethyl 5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(C)nn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H13F3N2O2/c1-3-21-13(20)12-7-9(2)18-19(12)11-6-4-5-10(8-11)14(15,16)17/h4-8H,3H2,1-2H3
InChIKeyRNZTUVYTJLEZPT-UHFFFAOYSA-N
XLogP3.38
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxylate
CID 4225085
ethyl 5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxylate
CID 54513433
ethyl 5-methyl-2-[3-(phenylmethoxymethyl)phenyl]pyrazole-3-carboxylate
CID 134396871
ethyl 5-methyl-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate
CID 134397104
ethyl 1-(3-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylate
CID 58345406
ethyl 3-(3,5-dimethylpyrazol-1-yl)benzoate
CID 50883494
ethyl 5-methyl-2-[3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]pyrazole-3-carboxylate
CID 122692164
[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 10410315
ethyl 5-(2-methyl-4-oxobutan-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxylate
CID 71568556
ethyl 2-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxylate
CID 150465192
ethyl 2-[3-[[benzyl(propan-2-yloxycarbonyl)amino]methyl]phenyl]-5-methylpyrazole-3-carboxylate
CID 134397826
ethyl N-[(E)-[5-chloro-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methylideneamino]carbamate
CID 6902840

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylate?
The IUPAC name of ethyl 5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylate (CID 46743357) is ethyl 5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylate is CCOC(=O)c1cc(C)nn1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of ethyl 5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylate?
The InChIKey is RNZTUVYTJLEZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O2/c1-3-21-13(20)12-7-9(2)18-19(12)11-6-4-5-10(8-11)14(15,16)17/h4-8H,3H2,1-2H3.
What are the key properties of ethyl 5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylate?
ethyl 5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylate has a molecular weight of 298.26 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylate is sourced from PubChem (CID 46743357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).