ethyl 1-[5-propyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carbonyl]piperidine-3-carboxylate

C17H24F3N3O3 — CID 42669792

IUPACethyl 1-[5-propyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carbonyl]piperidine-3-carboxylate
SMILESCCCc1c(C(=O)N2CCCC(C(=O)OCC)C2)cnn1CC(F)(F)F
InChIInChI=1S/C17H24F3N3O3/c1-3-6-14-13(9-21-23(14)11-17(18,19)20)15(24)22-8-5-7-12(10-22)16(25)26-4-2/h9,12H,3-8,10-11H2,1-2H3
InChIKeyXYPAMGMHROLYSJ-UHFFFAOYSA-N
MW375.39 g/mol
LogP2.81
Rot. Bonds6

About ethyl 1-[5-propyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carbonyl]piperidine-3-carboxylate

ethyl 1-[5-propyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carbonyl]piperidine-3-carboxylate (PubChem CID 42669792) has the molecular formula C17H24F3N3O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is ethyl 1-[5-propyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carbonyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[5-propyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carbonyl]piperidine-3-carboxylate
PubChem CID42669792
Molecular FormulaC17H24F3N3O3
Molecular Weight375.39 g/mol
Exact Mass375.18
IUPAC Nameethyl 1-[5-propyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carbonyl]piperidine-3-carboxylate
SMILESCCCc1c(C(=O)N2CCCC(C(=O)OCC)C2)cnn1CC(F)(F)F
InChIInChI=1S/C17H24F3N3O3/c1-3-6-14-13(9-21-23(14)11-17(18,19)20)15(24)22-8-5-7-12(10-22)16(25)26-4-2/h9,12H,3-8,10-11H2,1-2H3
InChIKeyXYPAMGMHROLYSJ-UHFFFAOYSA-N
XLogP2.81
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[5-propyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carbonyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[5-propyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carbonyl]piperidine-3-carboxylate (CID 42669792) is ethyl 1-[5-propyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carbonyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[5-propyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carbonyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[5-propyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carbonyl]piperidine-3-carboxylate is CCCc1c(C(=O)N2CCCC(C(=O)OCC)C2)cnn1CC(F)(F)F.
What is the InChIKey of ethyl 1-[5-propyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carbonyl]piperidine-3-carboxylate?
The InChIKey is XYPAMGMHROLYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N3O3/c1-3-6-14-13(9-21-23(14)11-17(18,19)20)15(24)22-8-5-7-12(10-22)16(25)26-4-2/h9,12H,3-8,10-11H2,1-2H3.
What are the key properties of ethyl 1-[5-propyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carbonyl]piperidine-3-carboxylate?
ethyl 1-[5-propyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carbonyl]piperidine-3-carboxylate has a molecular weight of 375.39 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[5-propyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carbonyl]piperidine-3-carboxylate is sourced from PubChem (CID 42669792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).