N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-2,2,2-trifluoroacetamide

C12H15F3N4O3 — CID 19338939

IUPACN-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-2,2,2-trifluoroacetamide
SMILESCCn1ncc(NC(=O)C(F)(F)F)c1C(=O)N1CCOCC1
InChIInChI=1S/C12H15F3N4O3/c1-2-19-9(10(20)18-3-5-22-6-4-18)8(7-16-19)17-11(21)12(13,14)15/h7H,2-6H2,1H3,(H,17,21)
InChIKeyYNTSIINYZGUYFR-UHFFFAOYSA-N
MW320.27 g/mol
LogP0.88
Rot. Bonds3

About N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-2,2,2-trifluoroacetamide

N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-2,2,2-trifluoroacetamide (PubChem CID 19338939) has the molecular formula C12H15F3N4O3 and a molecular weight of 320.27 g/mol. Its IUPAC name is N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-2,2,2-trifluoroacetamide
PubChem CID19338939
Molecular FormulaC12H15F3N4O3
Molecular Weight320.27 g/mol
Exact Mass320.11
IUPAC NameN-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-2,2,2-trifluoroacetamide
SMILESCCn1ncc(NC(=O)C(F)(F)F)c1C(=O)N1CCOCC1
InChIInChI=1S/C12H15F3N4O3/c1-2-19-9(10(20)18-3-5-22-6-4-18)8(7-16-19)17-11(21)12(13,14)15/h7H,2-6H2,1H3,(H,17,21)
InChIKeyYNTSIINYZGUYFR-UHFFFAOYSA-N
XLogP0.88
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-2,2,2-trifluoroacetamide (CID 19338939) is N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-2,2,2-trifluoroacetamide is CCn1ncc(NC(=O)C(F)(F)F)c1C(=O)N1CCOCC1.
What is the InChIKey of N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-2,2,2-trifluoroacetamide?
The InChIKey is YNTSIINYZGUYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O3/c1-2-19-9(10(20)18-3-5-22-6-4-18)8(7-16-19)17-11(21)12(13,14)15/h7H,2-6H2,1H3,(H,17,21).
What are the key properties of N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-2,2,2-trifluoroacetamide?
N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-2,2,2-trifluoroacetamide has a molecular weight of 320.27 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 19338939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).