2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone

C15H19ClF3N3O2 — CID 4768663

IUPAC2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)Cn2nc(C(F)(F)F)c(Cl)c2C2CC2)CC(C)O1
InChIInChI=1S/C15H19ClF3N3O2/c1-8-5-21(6-9(2)24-8)11(23)7-22-13(10-3-4-10)12(16)14(20-22)15(17,18)19/h8-10H,3-7H2,1-2H3
InChIKeyUCOSOFFZIKEEOF-UHFFFAOYSA-N
MW365.78 g/mol
LogP3.07
Rot. Bonds3

About 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone

2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone (PubChem CID 4768663) has the molecular formula C15H19ClF3N3O2 and a molecular weight of 365.78 g/mol. Its IUPAC name is 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone
PubChem CID4768663
Molecular FormulaC15H19ClF3N3O2
Molecular Weight365.78 g/mol
Exact Mass365.11
IUPAC Name2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)Cn2nc(C(F)(F)F)c(Cl)c2C2CC2)CC(C)O1
InChIInChI=1S/C15H19ClF3N3O2/c1-8-5-21(6-9(2)24-8)11(23)7-22-13(10-3-4-10)12(16)14(20-22)15(17,18)19/h8-10H,3-7H2,1-2H3
InChIKeyUCOSOFFZIKEEOF-UHFFFAOYSA-N
XLogP3.07
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.78
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The IUPAC name of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone (CID 4768663) is 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone is CC1CN(C(=O)Cn2nc(C(F)(F)F)c(Cl)c2C2CC2)CC(C)O1.
What is the InChIKey of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The InChIKey is UCOSOFFZIKEEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClF3N3O2/c1-8-5-21(6-9(2)24-8)11(23)7-22-13(10-3-4-10)12(16)14(20-22)15(17,18)19/h8-10H,3-7H2,1-2H3.
What are the key properties of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone?
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone has a molecular weight of 365.78 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone is sourced from PubChem (CID 4768663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).