1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone

C16H21F3N4O — CID 45154001

IUPAC1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
SMILESO=C(Cn1nc(C(F)(F)F)cc1C1CC1)N1CCN2CCCC2C1
InChIInChI=1S/C16H21F3N4O/c17-16(18,19)14-8-13(11-3-4-11)23(20-14)10-15(24)22-7-6-21-5-1-2-12(21)9-22/h8,11-12H,1-7,9-10H2
InChIKeyKQZATCYTBMVJFI-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.09
Rot. Bonds3

About 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone

1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone (PubChem CID 45154001) has the molecular formula C16H21F3N4O and a molecular weight of 342.37 g/mol. Its IUPAC name is 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
PubChem CID45154001
Molecular FormulaC16H21F3N4O
Molecular Weight342.37 g/mol
Exact Mass342.17
IUPAC Name1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
SMILESO=C(Cn1nc(C(F)(F)F)cc1C1CC1)N1CCN2CCCC2C1
InChIInChI=1S/C16H21F3N4O/c17-16(18,19)14-8-13(11-3-4-11)23(20-14)10-15(24)22-7-6-21-5-1-2-12(21)9-22/h8,11-12H,1-7,9-10H2
InChIKeyKQZATCYTBMVJFI-UHFFFAOYSA-N
XLogP2.09
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The IUPAC name of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone (CID 45154001) is 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone.
What is the SMILES notation for 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The canonical SMILES for 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone is O=C(Cn1nc(C(F)(F)F)cc1C1CC1)N1CCN2CCCC2C1.
What is the InChIKey of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The InChIKey is KQZATCYTBMVJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N4O/c17-16(18,19)14-8-13(11-3-4-11)23(20-14)10-15(24)22-7-6-21-5-1-2-12(21)9-22/h8,11-12H,1-7,9-10H2.
What are the key properties of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone?
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone has a molecular weight of 342.37 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone is sourced from PubChem (CID 45154001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).