2-cyclopentyl-1-[(3R)-3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholin-4-yl]ethanone

C18H26F3N3O2 — CID 97346611

IUPAC2-cyclopentyl-1-[(3R)-3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholin-4-yl]ethanone
SMILESCc1nn(CC(F)(F)F)c(C)c1[C@@H]1COCCN1C(=O)CC1CCCC1
InChIInChI=1S/C18H26F3N3O2/c1-12-17(13(2)24(22-12)11-18(19,20)21)15-10-26-8-7-23(15)16(25)9-14-5-3-4-6-14/h14-15H,3-11H2,1-2H3/t15-/m0/s1
InChIKeyVONBLXZJIHJPFD-HNNXBMFYSA-N
MW373.42 g/mol
LogP3.54
Rot. Bonds4

About 2-cyclopentyl-1-[(3R)-3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholin-4-yl]ethanone

2-cyclopentyl-1-[(3R)-3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholin-4-yl]ethanone (PubChem CID 97346611) has the molecular formula C18H26F3N3O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 2-cyclopentyl-1-[(3R)-3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[(3R)-3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholin-4-yl]ethanone
PubChem CID97346611
Molecular FormulaC18H26F3N3O2
Molecular Weight373.42 g/mol
Exact Mass373.20
IUPAC Name2-cyclopentyl-1-[(3R)-3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholin-4-yl]ethanone
SMILESCc1nn(CC(F)(F)F)c(C)c1[C@@H]1COCCN1C(=O)CC1CCCC1
InChIInChI=1S/C18H26F3N3O2/c1-12-17(13(2)24(22-12)11-18(19,20)21)15-10-26-8-7-23(15)16(25)9-14-5-3-4-6-14/h14-15H,3-11H2,1-2H3/t15-/m0/s1
InChIKeyVONBLXZJIHJPFD-HNNXBMFYSA-N
XLogP3.54
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[(3R)-3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholin-4-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[(3R)-3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholin-4-yl]ethanone (CID 97346611) is 2-cyclopentyl-1-[(3R)-3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholin-4-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[(3R)-3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholin-4-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[(3R)-3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholin-4-yl]ethanone is Cc1nn(CC(F)(F)F)c(C)c1[C@@H]1COCCN1C(=O)CC1CCCC1.
What is the InChIKey of 2-cyclopentyl-1-[(3R)-3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholin-4-yl]ethanone?
The InChIKey is VONBLXZJIHJPFD-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H26F3N3O2/c1-12-17(13(2)24(22-12)11-18(19,20)21)15-10-26-8-7-23(15)16(25)9-14-5-3-4-6-14/h14-15H,3-11H2,1-2H3/t15-/m0/s1.
What are the key properties of 2-cyclopentyl-1-[(3R)-3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholin-4-yl]ethanone?
2-cyclopentyl-1-[(3R)-3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholin-4-yl]ethanone has a molecular weight of 373.42 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[(3R)-3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholin-4-yl]ethanone is sourced from PubChem (CID 97346611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).