2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one

C14H17ClF3N3O2 — CID 4768333

IUPAC2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESCC(C(=O)N1CCOCC1)n1nc(C(F)(F)F)c(Cl)c1C1CC1
InChIInChI=1S/C14H17ClF3N3O2/c1-8(13(22)20-4-6-23-7-5-20)21-11(9-2-3-9)10(15)12(19-21)14(16,17)18/h8-9H,2-7H2,1H3
InChIKeyBAXUBJJBQJFISJ-UHFFFAOYSA-N
MW351.76 g/mol
LogP2.85
Rot. Bonds3

About 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one

2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 4768333) has the molecular formula C14H17ClF3N3O2 and a molecular weight of 351.76 g/mol. Its IUPAC name is 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID4768333
Molecular FormulaC14H17ClF3N3O2
Molecular Weight351.76 g/mol
Exact Mass351.10
IUPAC Name2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESCC(C(=O)N1CCOCC1)n1nc(C(F)(F)F)c(Cl)c1C1CC1
InChIInChI=1S/C14H17ClF3N3O2/c1-8(13(22)20-4-6-23-7-5-20)21-11(9-2-3-9)10(15)12(19-21)14(16,17)18/h8-9H,2-7H2,1H3
InChIKeyBAXUBJJBQJFISJ-UHFFFAOYSA-N
XLogP2.85
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.76
LogP ≤ 52.85
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-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one (CID 4768333) is 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one is CC(C(=O)N1CCOCC1)n1nc(C(F)(F)F)c(Cl)c1C1CC1.
What is the InChIKey of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is BAXUBJJBQJFISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF3N3O2/c1-8(13(22)20-4-6-23-7-5-20)21-11(9-2-3-9)10(15)12(19-21)14(16,17)18/h8-9H,2-7H2,1H3.
What are the key properties of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one?
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 351.76 g/mol, XLogP of 2.85, 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-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 4768333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).