1-morpholin-4-yl-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone

C13H16F3N3O2 — CID 1223613

IUPAC1-morpholin-4-yl-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone
SMILESO=C(Cn1nc(C(F)(F)F)c2c1CCC2)N1CCOCC1
InChIInChI=1S/C13H16F3N3O2/c14-13(15,16)12-9-2-1-3-10(9)19(17-12)8-11(20)18-4-6-21-7-5-18/h1-8H2
InChIKeyJGJJTFJYOGITAH-UHFFFAOYSA-N
MW303.28 g/mol
LogP1.25
Rot. Bonds2

About 1-morpholin-4-yl-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone

1-morpholin-4-yl-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone (PubChem CID 1223613) has the molecular formula C13H16F3N3O2 and a molecular weight of 303.28 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone
PubChem CID1223613
Molecular FormulaC13H16F3N3O2
Molecular Weight303.28 g/mol
Exact Mass303.12
IUPAC Name1-morpholin-4-yl-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone
SMILESO=C(Cn1nc(C(F)(F)F)c2c1CCC2)N1CCOCC1
InChIInChI=1S/C13H16F3N3O2/c14-13(15,16)12-9-2-1-3-10(9)19(17-12)8-11(20)18-4-6-21-7-5-18/h1-8H2
InChIKeyJGJJTFJYOGITAH-UHFFFAOYSA-N
XLogP1.25
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone?
The IUPAC name of 1-morpholin-4-yl-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone (CID 1223613) is 1-morpholin-4-yl-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone is O=C(Cn1nc(C(F)(F)F)c2c1CCC2)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone?
The InChIKey is JGJJTFJYOGITAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O2/c14-13(15,16)12-9-2-1-3-10(9)19(17-12)8-11(20)18-4-6-21-7-5-18/h1-8H2.
What are the key properties of 1-morpholin-4-yl-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone?
1-morpholin-4-yl-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone has a molecular weight of 303.28 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone is sourced from PubChem (CID 1223613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).