N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2,2,2-trifluoroethanamine

C12H15F3N4 — CID 43200478

IUPACN-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2,2,2-trifluoroethanamine
SMILESCc1cc2ncc(C(C)NCC(F)(F)F)c(C)n2n1
InChIInChI=1S/C12H15F3N4/c1-7-4-11-16-5-10(9(3)19(11)18-7)8(2)17-6-12(13,14)15/h4-5,8,17H,6H2,1-3H3
InChIKeyHIIWRBKYJVEFQX-UHFFFAOYSA-N
MW272.27 g/mol
LogP2.56
Rot. Bonds3

About N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2,2,2-trifluoroethanamine

N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2,2,2-trifluoroethanamine (PubChem CID 43200478) has the molecular formula C12H15F3N4 and a molecular weight of 272.27 g/mol. Its IUPAC name is N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2,2,2-trifluoroethanamine
PubChem CID43200478
Molecular FormulaC12H15F3N4
Molecular Weight272.27 g/mol
Exact Mass272.12
IUPAC NameN-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2,2,2-trifluoroethanamine
SMILESCc1cc2ncc(C(C)NCC(F)(F)F)c(C)n2n1
InChIInChI=1S/C12H15F3N4/c1-7-4-11-16-5-10(9(3)19(11)18-7)8(2)17-6-12(13,14)15/h4-5,8,17H,6H2,1-3H3
InChIKeyHIIWRBKYJVEFQX-UHFFFAOYSA-N
XLogP2.56
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2,2,2-trifluoroethanamine 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-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2,2,2-trifluoroethanamine (CID 43200478) is N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2,2,2-trifluoroethanamine is Cc1cc2ncc(C(C)NCC(F)(F)F)c(C)n2n1.
What is the InChIKey of N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2,2,2-trifluoroethanamine?
The InChIKey is HIIWRBKYJVEFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4/c1-7-4-11-16-5-10(9(3)19(11)18-7)8(2)17-6-12(13,14)15/h4-5,8,17H,6H2,1-3H3.
What are the key properties of N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2,2,2-trifluoroethanamine?
N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2,2,2-trifluoroethanamine has a molecular weight of 272.27 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 43200478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).