ethyl 4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoate

C11H15F3N2O2 — CID 119053470

IUPACethyl 4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoate
SMILESCCOC(=O)CCCn1cc(C)c(C(F)(F)F)n1
InChIInChI=1S/C11H15F3N2O2/c1-3-18-9(17)5-4-6-16-7-8(2)10(15-16)11(12,13)14/h7H,3-6H2,1-2H3
InChIKeyASBHINURHKYNLU-UHFFFAOYSA-N
MW264.25 g/mol
LogP2.55
Rot. Bonds5

About ethyl 4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoate

ethyl 4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoate (PubChem CID 119053470) has the molecular formula C11H15F3N2O2 and a molecular weight of 264.25 g/mol. Its IUPAC name is ethyl 4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoate.

Molecular Properties

Compound Nameethyl 4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoate
PubChem CID119053470
Molecular FormulaC11H15F3N2O2
Molecular Weight264.25 g/mol
Exact Mass264.11
IUPAC Nameethyl 4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoate
SMILESCCOC(=O)CCCn1cc(C)c(C(F)(F)F)n1
InChIInChI=1S/C11H15F3N2O2/c1-3-18-9(17)5-4-6-16-7-8(2)10(15-16)11(12,13)14/h7H,3-6H2,1-2H3
InChIKeyASBHINURHKYNLU-UHFFFAOYSA-N
XLogP2.55
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoate
CID 25247509
ethyl 4-(3-carbamoyl-4-nitropyrazol-1-yl)butanoate
CID 163333250
ethyl 4-(4-propan-2-yltriazol-1-yl)butanoate
CID 164942287
ethyl 5-(4-bromo-3-nitropyrazol-1-yl)pentanoate
CID 56806543
2-[1-pentyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol
CID 110006317
ethyl 4-(5-isocyanoindazol-2-yl)butanoate
CID 59316801
ethyl 4-(4-nitrosoimidazol-1-yl)butanoate
CID 59103067
ethyl 4-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]butanoate
CID 68841546
diethyl hexanedioate
CID 160747628
ethyl 1-[4-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-4-oxobutyl]-3-(trifluoromethyl)pyrazole-4-carboxylate
CID 153125276
ethyl 5-[4-(acetyloxymethyl)triazol-1-yl]pentanoate
CID 71503779
ethyl 4-(4-nitroimidazol-1-yl)butanoate
CID 20711251

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoate?
The IUPAC name of ethyl 4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoate (CID 119053470) is ethyl 4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoate.
What is the SMILES notation for ethyl 4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoate?
The canonical SMILES for ethyl 4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoate is CCOC(=O)CCCn1cc(C)c(C(F)(F)F)n1.
What is the InChIKey of ethyl 4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoate?
The InChIKey is ASBHINURHKYNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2/c1-3-18-9(17)5-4-6-16-7-8(2)10(15-16)11(12,13)14/h7H,3-6H2,1-2H3.
What are the key properties of ethyl 4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoate?
ethyl 4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoate has a molecular weight of 264.25 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoate is sourced from PubChem (CID 119053470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).