ethyl 5-morpholin-4-yl-1-[3-(trifluoromethyl)cyclobutyl]pyrazole-4-carboxylate

C15H20F3N3O3 — CID 135324837

IUPACethyl 5-morpholin-4-yl-1-[3-(trifluoromethyl)cyclobutyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C2CC(C(F)(F)F)C2)c1N1CCOCC1
InChIInChI=1S/C15H20F3N3O3/c1-2-24-14(22)12-9-19-21(11-7-10(8-11)15(16,17)18)13(12)20-3-5-23-6-4-20/h9-11H,2-8H2,1H3
InChIKeyYGNFTLJXCFPDHB-UHFFFAOYSA-N
MW347.34 g/mol
LogP2.41
Rot. Bonds4

About ethyl 5-morpholin-4-yl-1-[3-(trifluoromethyl)cyclobutyl]pyrazole-4-carboxylate

ethyl 5-morpholin-4-yl-1-[3-(trifluoromethyl)cyclobutyl]pyrazole-4-carboxylate (PubChem CID 135324837) has the molecular formula C15H20F3N3O3 and a molecular weight of 347.34 g/mol. Its IUPAC name is ethyl 5-morpholin-4-yl-1-[3-(trifluoromethyl)cyclobutyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-morpholin-4-yl-1-[3-(trifluoromethyl)cyclobutyl]pyrazole-4-carboxylate
PubChem CID135324837
Molecular FormulaC15H20F3N3O3
Molecular Weight347.34 g/mol
Exact Mass347.15
IUPAC Nameethyl 5-morpholin-4-yl-1-[3-(trifluoromethyl)cyclobutyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C2CC(C(F)(F)F)C2)c1N1CCOCC1
InChIInChI=1S/C15H20F3N3O3/c1-2-24-14(22)12-9-19-21(11-7-10(8-11)15(16,17)18)13(12)20-3-5-23-6-4-20/h9-11H,2-8H2,1H3
InChIKeyYGNFTLJXCFPDHB-UHFFFAOYSA-N
XLogP2.41
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-morpholin-4-yl-1-[3-(trifluoromethyl)cyclobutyl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-morpholin-4-yl-1-[3-(trifluoromethyl)cyclobutyl]pyrazole-4-carboxylate (CID 135324837) is ethyl 5-morpholin-4-yl-1-[3-(trifluoromethyl)cyclobutyl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-morpholin-4-yl-1-[3-(trifluoromethyl)cyclobutyl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-morpholin-4-yl-1-[3-(trifluoromethyl)cyclobutyl]pyrazole-4-carboxylate is CCOC(=O)c1cnn(C2CC(C(F)(F)F)C2)c1N1CCOCC1.
What is the InChIKey of ethyl 5-morpholin-4-yl-1-[3-(trifluoromethyl)cyclobutyl]pyrazole-4-carboxylate?
The InChIKey is YGNFTLJXCFPDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O3/c1-2-24-14(22)12-9-19-21(11-7-10(8-11)15(16,17)18)13(12)20-3-5-23-6-4-20/h9-11H,2-8H2,1H3.
What are the key properties of ethyl 5-morpholin-4-yl-1-[3-(trifluoromethyl)cyclobutyl]pyrazole-4-carboxylate?
ethyl 5-morpholin-4-yl-1-[3-(trifluoromethyl)cyclobutyl]pyrazole-4-carboxylate has a molecular weight of 347.34 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-morpholin-4-yl-1-[3-(trifluoromethyl)cyclobutyl]pyrazole-4-carboxylate is sourced from PubChem (CID 135324837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).