ethyl 3-morpholin-4-yl-1-[2-(trifluoromethyl)cyclobutyl]pyrazole-4-carboxylate

C15H20F3N3O3 — CID 135324454

IUPACethyl 3-morpholin-4-yl-1-[2-(trifluoromethyl)cyclobutyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn(C2CCC2C(F)(F)F)nc1N1CCOCC1
InChIInChI=1S/C15H20F3N3O3/c1-2-24-14(22)10-9-21(12-4-3-11(12)15(16,17)18)19-13(10)20-5-7-23-8-6-20/h9,11-12H,2-8H2,1H3
InChIKeyBAMIKZBHUZBADJ-UHFFFAOYSA-N
MW347.34 g/mol
LogP2.41
Rot. Bonds4

About ethyl 3-morpholin-4-yl-1-[2-(trifluoromethyl)cyclobutyl]pyrazole-4-carboxylate

ethyl 3-morpholin-4-yl-1-[2-(trifluoromethyl)cyclobutyl]pyrazole-4-carboxylate (PubChem CID 135324454) has the molecular formula C15H20F3N3O3 and a molecular weight of 347.34 g/mol. Its IUPAC name is ethyl 3-morpholin-4-yl-1-[2-(trifluoromethyl)cyclobutyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-morpholin-4-yl-1-[2-(trifluoromethyl)cyclobutyl]pyrazole-4-carboxylate
PubChem CID135324454
Molecular FormulaC15H20F3N3O3
Molecular Weight347.34 g/mol
Exact Mass347.15
IUPAC Nameethyl 3-morpholin-4-yl-1-[2-(trifluoromethyl)cyclobutyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn(C2CCC2C(F)(F)F)nc1N1CCOCC1
InChIInChI=1S/C15H20F3N3O3/c1-2-24-14(22)10-9-21(12-4-3-11(12)15(16,17)18)19-13(10)20-5-7-23-8-6-20/h9,11-12H,2-8H2,1H3
InChIKeyBAMIKZBHUZBADJ-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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Related Compounds

US11390631, Example 488
CID 134461736
US11390631, Example 438
CID 126482386
US11390631, Example 401
CID 126482572
Ethyl 3-morpholin-4-yl-1-[3-(trifluoromethyl)cyclobutyl]pyrazole-4-carboxylate
CID 135324661
Ethyl 5-morpholin-4-yl-1-[3-(trifluoromethyl)cyclobutyl]pyrazole-4-carboxylate
CID 135324837
Ethyl 5-amino-1-(4,4-difluorocyclohexyl)pyrazole-4-carboxylate
CID 146636531
Ethyl 5-amino-1-[1-(2,2,2-trifluoroethylcarbamoyl)piperidin-4-yl]pyrazole-4-carboxylate
CID 72113994
ethyl 1-cyclobutyl-3-morpholino-1H-pyrazole-4-carboxylate
CID 126482665
Methyl 1-methyl-5-morpholin-4-ylpyrazole-4-carboxylate
CID 126482689
Ethyl 1-methyl-3-morpholin-4-ylpyrazole-4-carboxylate
CID 126482814
Ethyl 3-morpholin-4-yl-1-propan-2-ylpyrazole-4-carboxylate
CID 126483031
Ethyl 1-(cyclopropylmethyl)-3-morpholin-4-ylpyrazole-4-carboxylate
CID 134461718

Frequently Asked Questions

What is the IUPAC name of ethyl 3-morpholin-4-yl-1-[2-(trifluoromethyl)cyclobutyl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 3-morpholin-4-yl-1-[2-(trifluoromethyl)cyclobutyl]pyrazole-4-carboxylate (CID 135324454) is ethyl 3-morpholin-4-yl-1-[2-(trifluoromethyl)cyclobutyl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 3-morpholin-4-yl-1-[2-(trifluoromethyl)cyclobutyl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 3-morpholin-4-yl-1-[2-(trifluoromethyl)cyclobutyl]pyrazole-4-carboxylate is CCOC(=O)c1cn(C2CCC2C(F)(F)F)nc1N1CCOCC1.
What is the InChIKey of ethyl 3-morpholin-4-yl-1-[2-(trifluoromethyl)cyclobutyl]pyrazole-4-carboxylate?
The InChIKey is BAMIKZBHUZBADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O3/c1-2-24-14(22)10-9-21(12-4-3-11(12)15(16,17)18)19-13(10)20-5-7-23-8-6-20/h9,11-12H,2-8H2,1H3.
What are the key properties of ethyl 3-morpholin-4-yl-1-[2-(trifluoromethyl)cyclobutyl]pyrazole-4-carboxylate?
ethyl 3-morpholin-4-yl-1-[2-(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 3-morpholin-4-yl-1-[2-(trifluoromethyl)cyclobutyl]pyrazole-4-carboxylate is sourced from PubChem (CID 135324454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).