Skip to content

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

C16H16F3N5O2S — CID 169180020

Data last refreshed: (MolForge compound catalog, from PubChem)

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

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).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.