N-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]-3-(methoxymethyl)morpholine-4-carboxamide

C13H19F3N4O3 — CID 138025210

IUPACN-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]-3-(methoxymethyl)morpholine-4-carboxamide
SMILESCCn1ncc(NC(=O)N2CCOCC2COC)c1C(F)(F)F
InChIInChI=1S/C13H19F3N4O3/c1-3-20-11(13(14,15)16)10(6-17-20)18-12(21)19-4-5-23-8-9(19)7-22-2/h6,9H,3-5,7-8H2,1-2H3,(H,18,21)
InChIKeyFGNRNXQQIAEFIY-UHFFFAOYSA-N
MW336.31 g/mol
LogP1.80
Rot. Bonds4

About N-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]-3-(methoxymethyl)morpholine-4-carboxamide

N-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]-3-(methoxymethyl)morpholine-4-carboxamide (PubChem CID 138025210) has the molecular formula C13H19F3N4O3 and a molecular weight of 336.31 g/mol. Its IUPAC name is N-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]-3-(methoxymethyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]-3-(methoxymethyl)morpholine-4-carboxamide
PubChem CID138025210
Molecular FormulaC13H19F3N4O3
Molecular Weight336.31 g/mol
Exact Mass336.14
IUPAC NameN-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]-3-(methoxymethyl)morpholine-4-carboxamide
SMILESCCn1ncc(NC(=O)N2CCOCC2COC)c1C(F)(F)F
InChIInChI=1S/C13H19F3N4O3/c1-3-20-11(13(14,15)16)10(6-17-20)18-12(21)19-4-5-23-8-9(19)7-22-2/h6,9H,3-5,7-8H2,1-2H3,(H,18,21)
InChIKeyFGNRNXQQIAEFIY-UHFFFAOYSA-N
XLogP1.80
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 51.80
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-(trifluoromethyl)pyrazol-4-yl]-3-(methoxymethyl)morpholine-4-carboxamide?
The IUPAC name of N-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]-3-(methoxymethyl)morpholine-4-carboxamide (CID 138025210) is N-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]-3-(methoxymethyl)morpholine-4-carboxamide.
What is the SMILES notation for N-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]-3-(methoxymethyl)morpholine-4-carboxamide?
The canonical SMILES for N-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]-3-(methoxymethyl)morpholine-4-carboxamide is CCn1ncc(NC(=O)N2CCOCC2COC)c1C(F)(F)F.
What is the InChIKey of N-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]-3-(methoxymethyl)morpholine-4-carboxamide?
The InChIKey is FGNRNXQQIAEFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O3/c1-3-20-11(13(14,15)16)10(6-17-20)18-12(21)19-4-5-23-8-9(19)7-22-2/h6,9H,3-5,7-8H2,1-2H3,(H,18,21).
What are the key properties of N-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]-3-(methoxymethyl)morpholine-4-carboxamide?
N-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]-3-(methoxymethyl)morpholine-4-carboxamide has a molecular weight of 336.31 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]-3-(methoxymethyl)morpholine-4-carboxamide is sourced from PubChem (CID 138025210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).