N-methyl-3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-amine

C11H13F3N4 — CID 84729458

IUPACN-methyl-3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-amine
SMILESCNCCCc1cc2ncc(C(F)(F)F)cn2n1
InChIInChI=1S/C11H13F3N4/c1-15-4-2-3-9-5-10-16-6-8(11(12,13)14)7-18(10)17-9/h5-7,15H,2-4H2,1H3
InChIKeyKGXSDOKMOACFCV-UHFFFAOYSA-N
MW258.25 g/mol
LogP1.90
Rot. Bonds4

About N-methyl-3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-amine

N-methyl-3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-amine (PubChem CID 84729458) has the molecular formula C11H13F3N4 and a molecular weight of 258.25 g/mol. Its IUPAC name is N-methyl-3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-amine
PubChem CID84729458
Molecular FormulaC11H13F3N4
Molecular Weight258.25 g/mol
Exact Mass258.11
IUPAC NameN-methyl-3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-amine
SMILESCNCCCc1cc2ncc(C(F)(F)F)cn2n1
InChIInChI=1S/C11H13F3N4/c1-15-4-2-3-9-5-10-16-6-8(11(12,13)14)7-18(10)17-9/h5-7,15H,2-4H2,1H3
InChIKeyKGXSDOKMOACFCV-UHFFFAOYSA-N
XLogP1.90
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-amine?
The IUPAC name of N-methyl-3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-amine (CID 84729458) is N-methyl-3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-amine.
What is the SMILES notation for N-methyl-3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-amine?
The canonical SMILES for N-methyl-3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-amine is CNCCCc1cc2ncc(C(F)(F)F)cn2n1.
What is the InChIKey of N-methyl-3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-amine?
The InChIKey is KGXSDOKMOACFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4/c1-15-4-2-3-9-5-10-16-6-8(11(12,13)14)7-18(10)17-9/h5-7,15H,2-4H2,1H3.
What are the key properties of N-methyl-3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-amine?
N-methyl-3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-amine has a molecular weight of 258.25 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-amine is sourced from PubChem (CID 84729458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).