N-[(1R,5R)-3-oxabicyclo[3.1.0]hexan-1-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C13H11F3N4O2 — CID 138008969

IUPACN-[(1R,5R)-3-oxabicyclo[3.1.0]hexan-1-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(N[C@@]12COC[C@@H]1C2)c1cc2nccc(C(F)(F)F)n2n1
InChIInChI=1S/C13H11F3N4O2/c14-13(15,16)9-1-2-17-10-3-8(19-20(9)10)11(21)18-12-4-7(12)5-22-6-12/h1-3,7H,4-6H2,(H,18,21)/t7-,12-/m0/s1
InChIKeyRDHMCYULHYZRNG-MADCSZMMSA-N
MW312.25 g/mol
LogP1.27
Rot. Bonds2

About N-[(1R,5R)-3-oxabicyclo[3.1.0]hexan-1-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-[(1R,5R)-3-oxabicyclo[3.1.0]hexan-1-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 138008969) has the molecular formula C13H11F3N4O2 and a molecular weight of 312.25 g/mol. Its IUPAC name is N-[(1R,5R)-3-oxabicyclo[3.1.0]hexan-1-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,5R)-3-oxabicyclo[3.1.0]hexan-1-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID138008969
Molecular FormulaC13H11F3N4O2
Molecular Weight312.25 g/mol
Exact Mass312.08
IUPAC NameN-[(1R,5R)-3-oxabicyclo[3.1.0]hexan-1-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(N[C@@]12COC[C@@H]1C2)c1cc2nccc(C(F)(F)F)n2n1
InChIInChI=1S/C13H11F3N4O2/c14-13(15,16)9-1-2-17-10-3-8(19-20(9)10)11(21)18-12-4-7(12)5-22-6-12/h1-3,7H,4-6H2,(H,18,21)/t7-,12-/m0/s1
InChIKeyRDHMCYULHYZRNG-MADCSZMMSA-N
XLogP1.27
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1R,5R)-3-oxabicyclo[3.1.0]hexan-1-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide 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 N-[(1R,5R)-3-oxabicyclo[3.1.0]hexan-1-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[(1R,5R)-3-oxabicyclo[3.1.0]hexan-1-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 138008969) is N-[(1R,5R)-3-oxabicyclo[3.1.0]hexan-1-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(1R,5R)-3-oxabicyclo[3.1.0]hexan-1-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(1R,5R)-3-oxabicyclo[3.1.0]hexan-1-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(N[C@@]12COC[C@@H]1C2)c1cc2nccc(C(F)(F)F)n2n1.
What is the InChIKey of N-[(1R,5R)-3-oxabicyclo[3.1.0]hexan-1-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is RDHMCYULHYZRNG-MADCSZMMSA-N. The full InChI is InChI=1S/C13H11F3N4O2/c14-13(15,16)9-1-2-17-10-3-8(19-20(9)10)11(21)18-12-4-7(12)5-22-6-12/h1-3,7H,4-6H2,(H,18,21)/t7-,12-/m0/s1.
What are the key properties of N-[(1R,5R)-3-oxabicyclo[3.1.0]hexan-1-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-[(1R,5R)-3-oxabicyclo[3.1.0]hexan-1-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 312.25 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5R)-3-oxabicyclo[3.1.0]hexan-1-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 138008969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).