ethyl 4-ethylsulfanyl-1-methyl-3-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyrazole-5-carboxylate

C16H16F3N5O2S — CID 169180020

IUPACethyl 4-ethylsulfanyl-1-methyl-3-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyrazole-5-carboxylate
SMILESCCOC(=O)c1c(SCC)c(-c2cn3cnc(C(F)(F)F)cc3n2)nn1C
InChIInChI=1S/C16H16F3N5O2S/c1-4-26-15(25)13-14(27-5-2)12(22-23(13)3)9-7-24-8-20-10(16(17,18)19)6-11(24)21-9/h6-8H,4-5H2,1-3H3
InChIKeyGLMIQBRGTGODAP-UHFFFAOYSA-N
MW399.40 g/mol
LogP3.44
Rot. Bonds5

About ethyl 4-ethylsulfanyl-1-methyl-3-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyrazole-5-carboxylate

ethyl 4-ethylsulfanyl-1-methyl-3-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyrazole-5-carboxylate (PubChem CID 169180020) has the molecular formula C16H16F3N5O2S and a molecular weight of 399.40 g/mol. Its IUPAC name is ethyl 4-ethylsulfanyl-1-methyl-3-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-ethylsulfanyl-1-methyl-3-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyrazole-5-carboxylate
PubChem CID169180020
Molecular FormulaC16H16F3N5O2S
Molecular Weight399.40 g/mol
Exact Mass399.10
IUPAC Nameethyl 4-ethylsulfanyl-1-methyl-3-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyrazole-5-carboxylate
SMILESCCOC(=O)c1c(SCC)c(-c2cn3cnc(C(F)(F)F)cc3n2)nn1C
InChIInChI=1S/C16H16F3N5O2S/c1-4-26-15(25)13-14(27-5-2)12(22-23(13)3)9-7-24-8-20-10(16(17,18)19)6-11(24)21-9/h6-8H,4-5H2,1-3H3
InChIKeyGLMIQBRGTGODAP-UHFFFAOYSA-N
XLogP3.44
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 4-ethylsulfanyl-1-methyl-3-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyrazole-5-carboxylate 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

N-[4-ethylsulfonyl-1-methyl-3-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyrazol-5-yl]-2,2,2-trifluoroacetamide
CID 169180037
2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
CID 146589669
N-[4-ethylsulfanyl-1-methyl-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]pyrazol-5-yl]propanamide
CID 171490747
2-[3-ethylsulfanyl-5-(3-fluorophenyl)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
CID 146383944
2-[3-ethylsulfonyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
CID 142468729
ethyl 4-amino-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxylate
CID 125041878
3-ethylsulfinyl-2-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]quinoline
CID 145113536
ethyl 3-(5-chloro-3-fluoro-2-pyridinyl)-1,4-dimethylpyrazole-5-carboxylate
CID 54116858
2-[[5-(ethylsulfonimidoyl)-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]oxy]-2-methylpropanenitrile
CID 146467202
2-[5-(3,5-difluorophenyl)-3-ethylsulfinyl-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine;hydrate
CID 145075320
ethyl 5-(7-fluoroimidazo[1,2-a]pyridin-2-yl)-1-methylpyrazole-3-carboxylate
CID 66988702
2-(2-bromo-5-ethylsulfanyl-1-methylimidazol-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;ethyl 1-methylimidazole-4-carboxylate
CID 175893153

Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethylsulfanyl-1-methyl-3-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyrazole-5-carboxylate?
The IUPAC name of ethyl 4-ethylsulfanyl-1-methyl-3-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyrazole-5-carboxylate (CID 169180020) is ethyl 4-ethylsulfanyl-1-methyl-3-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyrazole-5-carboxylate.
What is the SMILES notation for ethyl 4-ethylsulfanyl-1-methyl-3-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyrazole-5-carboxylate?
The canonical SMILES for ethyl 4-ethylsulfanyl-1-methyl-3-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyrazole-5-carboxylate is CCOC(=O)c1c(SCC)c(-c2cn3cnc(C(F)(F)F)cc3n2)nn1C.
What is the InChIKey of ethyl 4-ethylsulfanyl-1-methyl-3-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyrazole-5-carboxylate?
The InChIKey is GLMIQBRGTGODAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N5O2S/c1-4-26-15(25)13-14(27-5-2)12(22-23(13)3)9-7-24-8-20-10(16(17,18)19)6-11(24)21-9/h6-8H,4-5H2,1-3H3.
What are the key properties of ethyl 4-ethylsulfanyl-1-methyl-3-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyrazole-5-carboxylate?
ethyl 4-ethylsulfanyl-1-methyl-3-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyrazole-5-carboxylate has a molecular weight of 399.40 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethylsulfanyl-1-methyl-3-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyrazole-5-carboxylate is sourced from PubChem (CID 169180020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).