ethyl 1-cyclobutyl-3-morpholin-4-ylpyrazole-4-carboxylate

C14H21N3O3 — CID 126482665

IUPACethyl 1-cyclobutyl-3-morpholin-4-ylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cn(C2CCC2)nc1N1CCOCC1
InChIInChI=1S/C14H21N3O3/c1-2-20-14(18)12-10-17(11-4-3-5-11)15-13(12)16-6-8-19-9-7-16/h10-11H,2-9H2,1H3
InChIKeyCPGVFPFKQNLOKR-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.62
Rot. Bonds4

About ethyl 1-cyclobutyl-3-morpholin-4-ylpyrazole-4-carboxylate

ethyl 1-cyclobutyl-3-morpholin-4-ylpyrazole-4-carboxylate (PubChem CID 126482665) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is ethyl 1-cyclobutyl-3-morpholin-4-ylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-cyclobutyl-3-morpholin-4-ylpyrazole-4-carboxylate
PubChem CID126482665
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Nameethyl 1-cyclobutyl-3-morpholin-4-ylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cn(C2CCC2)nc1N1CCOCC1
InChIInChI=1S/C14H21N3O3/c1-2-20-14(18)12-10-17(11-4-3-5-11)15-13(12)16-6-8-19-9-7-16/h10-11H,2-9H2,1H3
InChIKeyCPGVFPFKQNLOKR-UHFFFAOYSA-N
XLogP1.62
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-cyclobutyl-3-morpholin-4-ylpyrazole-4-carboxylate?
The IUPAC name of ethyl 1-cyclobutyl-3-morpholin-4-ylpyrazole-4-carboxylate (CID 126482665) is ethyl 1-cyclobutyl-3-morpholin-4-ylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-cyclobutyl-3-morpholin-4-ylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-cyclobutyl-3-morpholin-4-ylpyrazole-4-carboxylate is CCOC(=O)c1cn(C2CCC2)nc1N1CCOCC1.
What is the InChIKey of ethyl 1-cyclobutyl-3-morpholin-4-ylpyrazole-4-carboxylate?
The InChIKey is CPGVFPFKQNLOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-2-20-14(18)12-10-17(11-4-3-5-11)15-13(12)16-6-8-19-9-7-16/h10-11H,2-9H2,1H3.
What are the key properties of ethyl 1-cyclobutyl-3-morpholin-4-ylpyrazole-4-carboxylate?
ethyl 1-cyclobutyl-3-morpholin-4-ylpyrazole-4-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-cyclobutyl-3-morpholin-4-ylpyrazole-4-carboxylate is sourced from PubChem (CID 126482665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).