(7,7-dimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-[1-[2-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone

C21H23F3N4O — CID 146428406

IUPAC(7,7-dimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-[1-[2-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone
SMILESCC1(C)CCNc2c(C(=O)N3CC4CC4(c4ccccc4C(F)(F)F)C3)cnn21
InChIInChI=1S/C21H23F3N4O/c1-19(2)7-8-25-17-14(10-26-28(17)19)18(29)27-11-13-9-20(13,12-27)15-5-3-4-6-16(15)21(22,23)24/h3-6,10,13,25H,7-9,11-12H2,1-2H3
InChIKeyGGVAGYFZKZILFL-UHFFFAOYSA-N
MW404.44 g/mol
LogP3.87
Rot. Bonds2

About (7,7-dimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-[1-[2-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone

(7,7-dimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-[1-[2-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone (PubChem CID 146428406) has the molecular formula C21H23F3N4O and a molecular weight of 404.44 g/mol. Its IUPAC name is (7,7-dimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-[1-[2-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone.

Molecular Properties

Compound Name(7,7-dimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-[1-[2-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone
PubChem CID146428406
Molecular FormulaC21H23F3N4O
Molecular Weight404.44 g/mol
Exact Mass404.18
IUPAC Name(7,7-dimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-[1-[2-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone
SMILESCC1(C)CCNc2c(C(=O)N3CC4CC4(c4ccccc4C(F)(F)F)C3)cnn21
InChIInChI=1S/C21H23F3N4O/c1-19(2)7-8-25-17-14(10-26-28(17)19)18(29)27-11-13-9-20(13,12-27)15-5-3-4-6-16(15)21(22,23)24/h3-6,10,13,25H,7-9,11-12H2,1-2H3
InChIKeyGGVAGYFZKZILFL-UHFFFAOYSA-N
XLogP3.87
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (7,7-dimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-[1-[2-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7,7-dimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-[1-[2-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone?
The IUPAC name of (7,7-dimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-[1-[2-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone (CID 146428406) is (7,7-dimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-[1-[2-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone.
What is the SMILES notation for (7,7-dimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-[1-[2-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone?
The canonical SMILES for (7,7-dimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-[1-[2-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone is CC1(C)CCNc2c(C(=O)N3CC4CC4(c4ccccc4C(F)(F)F)C3)cnn21.
What is the InChIKey of (7,7-dimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-[1-[2-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone?
The InChIKey is GGVAGYFZKZILFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N4O/c1-19(2)7-8-25-17-14(10-26-28(17)19)18(29)27-11-13-9-20(13,12-27)15-5-3-4-6-16(15)21(22,23)24/h3-6,10,13,25H,7-9,11-12H2,1-2H3.
What are the key properties of (7,7-dimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-[1-[2-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone?
(7,7-dimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-[1-[2-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone has a molecular weight of 404.44 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7,7-dimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-[1-[2-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone is sourced from PubChem (CID 146428406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).