N-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-ethylmorpholine-4-carboxamide

C12H16ClF3N4O2 — CID 126839142

IUPACN-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-ethylmorpholine-4-carboxamide
SMILESCCC1COCCN1C(=O)Nc1c(C(F)(F)F)nn(C)c1Cl
InChIInChI=1S/C12H16ClF3N4O2/c1-3-7-6-22-5-4-20(7)11(21)17-8-9(12(14,15)16)18-19(2)10(8)13/h7H,3-6H2,1-2H3,(H,17,21)
InChIKeyUDKWDPORYPKCKX-UHFFFAOYSA-N
MW340.73 g/mol
LogP2.73
Rot. Bonds2

About N-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-ethylmorpholine-4-carboxamide

N-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-ethylmorpholine-4-carboxamide (PubChem CID 126839142) has the molecular formula C12H16ClF3N4O2 and a molecular weight of 340.73 g/mol. Its IUPAC name is N-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-ethylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-ethylmorpholine-4-carboxamide
PubChem CID126839142
Molecular FormulaC12H16ClF3N4O2
Molecular Weight340.73 g/mol
Exact Mass340.09
IUPAC NameN-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-ethylmorpholine-4-carboxamide
SMILESCCC1COCCN1C(=O)Nc1c(C(F)(F)F)nn(C)c1Cl
InChIInChI=1S/C12H16ClF3N4O2/c1-3-7-6-22-5-4-20(7)11(21)17-8-9(12(14,15)16)18-19(2)10(8)13/h7H,3-6H2,1-2H3,(H,17,21)
InChIKeyUDKWDPORYPKCKX-UHFFFAOYSA-N
XLogP2.73
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.73
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-ethylmorpholine-4-carboxamide?
The IUPAC name of N-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-ethylmorpholine-4-carboxamide (CID 126839142) is N-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-ethylmorpholine-4-carboxamide.
What is the SMILES notation for N-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-ethylmorpholine-4-carboxamide?
The canonical SMILES for N-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-ethylmorpholine-4-carboxamide is CCC1COCCN1C(=O)Nc1c(C(F)(F)F)nn(C)c1Cl.
What is the InChIKey of N-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-ethylmorpholine-4-carboxamide?
The InChIKey is UDKWDPORYPKCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClF3N4O2/c1-3-7-6-22-5-4-20(7)11(21)17-8-9(12(14,15)16)18-19(2)10(8)13/h7H,3-6H2,1-2H3,(H,17,21).
What are the key properties of N-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-ethylmorpholine-4-carboxamide?
N-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-ethylmorpholine-4-carboxamide has a molecular weight of 340.73 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-ethylmorpholine-4-carboxamide is sourced from PubChem (CID 126839142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).