ethyl 1-(oxan-2-yl)-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole-4-carboxylate

C17H23F3N2O4 — CID 138682325

IUPACethyl 1-(oxan-2-yl)-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn(C2CCCCO2)nc1OCCC1(C(F)(F)F)CC1
InChIInChI=1S/C17H23F3N2O4/c1-2-24-15(23)12-11-22(13-5-3-4-9-25-13)21-14(12)26-10-8-16(6-7-16)17(18,19)20/h11,13H,2-10H2,1H3
InChIKeyJZNBFLYZUDPCPR-UHFFFAOYSA-N
MW376.38 g/mol
LogP3.87
Rot. Bonds7

About ethyl 1-(oxan-2-yl)-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole-4-carboxylate

ethyl 1-(oxan-2-yl)-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole-4-carboxylate (PubChem CID 138682325) has the molecular formula C17H23F3N2O4 and a molecular weight of 376.38 g/mol. Its IUPAC name is ethyl 1-(oxan-2-yl)-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(oxan-2-yl)-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole-4-carboxylate
PubChem CID138682325
Molecular FormulaC17H23F3N2O4
Molecular Weight376.38 g/mol
Exact Mass376.16
IUPAC Nameethyl 1-(oxan-2-yl)-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn(C2CCCCO2)nc1OCCC1(C(F)(F)F)CC1
InChIInChI=1S/C17H23F3N2O4/c1-2-24-15(23)12-11-22(13-5-3-4-9-25-13)21-14(12)26-10-8-16(6-7-16)17(18,19)20/h11,13H,2-10H2,1H3
InChIKeyJZNBFLYZUDPCPR-UHFFFAOYSA-N
XLogP3.87
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 1-(oxan-2-yl)-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole-4-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 1-(oxan-2-yl)-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-(oxan-2-yl)-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole-4-carboxylate (CID 138682325) is ethyl 1-(oxan-2-yl)-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-(oxan-2-yl)-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-(oxan-2-yl)-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole-4-carboxylate is CCOC(=O)c1cn(C2CCCCO2)nc1OCCC1(C(F)(F)F)CC1.
What is the InChIKey of ethyl 1-(oxan-2-yl)-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole-4-carboxylate?
The InChIKey is JZNBFLYZUDPCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O4/c1-2-24-15(23)12-11-22(13-5-3-4-9-25-13)21-14(12)26-10-8-16(6-7-16)17(18,19)20/h11,13H,2-10H2,1H3.
What are the key properties of ethyl 1-(oxan-2-yl)-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole-4-carboxylate?
ethyl 1-(oxan-2-yl)-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole-4-carboxylate has a molecular weight of 376.38 g/mol, XLogP of 3.87, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(oxan-2-yl)-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazole-4-carboxylate is sourced from PubChem (CID 138682325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).