[(1S,5R)-1,5-bis(hydroxymethyl)-3-azabicyclo[3.2.0]heptan-3-yl]-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-5-yl]methanone

C16H20F3N3O3 — CID 154847298

IUPAC[(1S,5R)-1,5-bis(hydroxymethyl)-3-azabicyclo[3.2.0]heptan-3-yl]-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-5-yl]methanone
SMILESO=C(c1cc(C(F)(F)F)nn1C1CC1)N1C[C@]2(CO)CC[C@]2(CO)C1
InChIInChI=1S/C16H20F3N3O3/c17-16(18,19)12-5-11(22(20-12)10-1-2-10)13(25)21-6-14(8-23)3-4-15(14,7-21)9-24/h5,10,23-24H,1-4,6-9H2/t14-,15+
InChIKeyXSPGAYWPZCLYGX-GASCZTMLSA-N
MW359.35 g/mol
LogP1.44
Rot. Bonds4

About [(1S,5R)-1,5-bis(hydroxymethyl)-3-azabicyclo[3.2.0]heptan-3-yl]-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-5-yl]methanone

[(1S,5R)-1,5-bis(hydroxymethyl)-3-azabicyclo[3.2.0]heptan-3-yl]-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-5-yl]methanone (PubChem CID 154847298) has the molecular formula C16H20F3N3O3 and a molecular weight of 359.35 g/mol. Its IUPAC name is [(1S,5R)-1,5-bis(hydroxymethyl)-3-azabicyclo[3.2.0]heptan-3-yl]-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-5-yl]methanone.

Molecular Properties

Compound Name[(1S,5R)-1,5-bis(hydroxymethyl)-3-azabicyclo[3.2.0]heptan-3-yl]-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-5-yl]methanone
PubChem CID154847298
Molecular FormulaC16H20F3N3O3
Molecular Weight359.35 g/mol
Exact Mass359.15
IUPAC Name[(1S,5R)-1,5-bis(hydroxymethyl)-3-azabicyclo[3.2.0]heptan-3-yl]-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-5-yl]methanone
SMILESO=C(c1cc(C(F)(F)F)nn1C1CC1)N1C[C@]2(CO)CC[C@]2(CO)C1
InChIInChI=1S/C16H20F3N3O3/c17-16(18,19)12-5-11(22(20-12)10-1-2-10)13(25)21-6-14(8-23)3-4-15(14,7-21)9-24/h5,10,23-24H,1-4,6-9H2/t14-,15+
InChIKeyXSPGAYWPZCLYGX-GASCZTMLSA-N
XLogP1.44
TPSA78.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(1S,5R)-1,5-bis(hydroxymethyl)-3-azabicyclo[3.2.0]heptan-3-yl]-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-5-yl]methanone with MolForge

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Related Compounds

11-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]-8,11-diazatricyclo[4.3.3.01,6]dodecane-7,9-dione
CID 167768682
1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]-3-methylpiperidine-4-carboxylic acid
CID 154848078
N-[1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]azetidin-3-yl]methanesulfonamide
CID 154847395
N-cyclopropyl-1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]azetidine-3-sulfonamide
CID 154847412
3-[[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]-methylamino]propanoic acid
CID 154848071
3-[[1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]pyrrolidin-3-yl]methyl]imidazolidine-2,4-dione
CID 154847356
1-cyclopropyl-N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 154847399
[4-hydroxy-4-(hydroxymethyl)azepan-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone
CID 56904604
1-cyclopropyl-N-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 155959489
[(1R,2R,4S)-2-benzyl-2-(hydroxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone
CID 146040260
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone
CID 39891621
N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 171813383

Frequently Asked Questions

What is the IUPAC name of [(1S,5R)-1,5-bis(hydroxymethyl)-3-azabicyclo[3.2.0]heptan-3-yl]-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-5-yl]methanone?
The IUPAC name of [(1S,5R)-1,5-bis(hydroxymethyl)-3-azabicyclo[3.2.0]heptan-3-yl]-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-5-yl]methanone (CID 154847298) is [(1S,5R)-1,5-bis(hydroxymethyl)-3-azabicyclo[3.2.0]heptan-3-yl]-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-5-yl]methanone.
What is the SMILES notation for [(1S,5R)-1,5-bis(hydroxymethyl)-3-azabicyclo[3.2.0]heptan-3-yl]-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-5-yl]methanone?
The canonical SMILES for [(1S,5R)-1,5-bis(hydroxymethyl)-3-azabicyclo[3.2.0]heptan-3-yl]-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-5-yl]methanone is O=C(c1cc(C(F)(F)F)nn1C1CC1)N1C[C@]2(CO)CC[C@]2(CO)C1.
What is the InChIKey of [(1S,5R)-1,5-bis(hydroxymethyl)-3-azabicyclo[3.2.0]heptan-3-yl]-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-5-yl]methanone?
The InChIKey is XSPGAYWPZCLYGX-GASCZTMLSA-N. The full InChI is InChI=1S/C16H20F3N3O3/c17-16(18,19)12-5-11(22(20-12)10-1-2-10)13(25)21-6-14(8-23)3-4-15(14,7-21)9-24/h5,10,23-24H,1-4,6-9H2/t14-,15+.
What are the key properties of [(1S,5R)-1,5-bis(hydroxymethyl)-3-azabicyclo[3.2.0]heptan-3-yl]-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-5-yl]methanone?
[(1S,5R)-1,5-bis(hydroxymethyl)-3-azabicyclo[3.2.0]heptan-3-yl]-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-5-yl]methanone has a molecular weight of 359.35 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5R)-1,5-bis(hydroxymethyl)-3-azabicyclo[3.2.0]heptan-3-yl]-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-5-yl]methanone is sourced from PubChem (CID 154847298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).