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

C11H13F3N4 — CID 84729457

IUPACN-methyl-3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-amine
SMILESCNCCCc1cnn2cc(C(F)(F)F)cnc12
InChIInChI=1S/C11H13F3N4/c1-15-4-2-3-8-5-17-18-7-9(11(12,13)14)6-16-10(8)18/h5-7,15H,2-4H2,1H3
InChIKeyVYZWIHXUZAKPOD-UHFFFAOYSA-N
MW258.25 g/mol
LogP1.90
Rot. Bonds4

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

N-methyl-3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-amine (PubChem CID 84729457) 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-3-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-amine
PubChem CID84729457
Molecular FormulaC11H13F3N4
Molecular Weight258.25 g/mol
Exact Mass258.11
IUPAC NameN-methyl-3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-amine
SMILESCNCCCc1cnn2cc(C(F)(F)F)cnc12
InChIInChI=1S/C11H13F3N4/c1-15-4-2-3-8-5-17-18-7-9(11(12,13)14)6-16-10(8)18/h5-7,15H,2-4H2,1H3
InChIKeyVYZWIHXUZAKPOD-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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Related Compounds

5-ethyl-2-methyl-N-[1-(1-methyl-1H-pyrazol-4-yl)propyl]pyrimidin-4-amine
CID 50964673
5-ethyl-N,2-dimethyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]pyrimidin-4-amine
CID 50976962
N~4~-[3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)propyl]-5-ethylpyrimidine-2,4-diamine
CID 72926789
3-((1,2,4)Triazolo(1,5-a)pyrimidin-6-yl)propan-1-amine dihydrochloride
CID 91623794
1-(3-([1,2,4]Triazolo[1,5-a]pyrimidin-6-yl)propyl)-3-(tert-butyl)urea
CID 91813907
8-cyclopentyl-N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 68940652
5-sec-butyl-6-fluoro-2-(1H-pyrazol-1-yl)-N-(2,2,2-trifluoroethyl)pyrimidine-4-amine
CID 68949693
5-Sec-butyl-n4, n4-diethyl-2-(1h-pyrazol-1-yl)-n6-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 69254965
6-Butan-2-yl-5-chloro-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 87740784
2-Piperazin-1-yl-3-(2,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrimidine
CID 89810595
2-Piperazin-1-yl-3-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrimidine
CID 89810597
2-Piperazin-1-yl-3-(1,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine
CID 89811449

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-amine?
The IUPAC name of N-methyl-3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-amine (CID 84729457) is N-methyl-3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-amine.
What is the SMILES notation for N-methyl-3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-amine?
The canonical SMILES for N-methyl-3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-amine is CNCCCc1cnn2cc(C(F)(F)F)cnc12.
What is the InChIKey of N-methyl-3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-amine?
The InChIKey is VYZWIHXUZAKPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4/c1-15-4-2-3-8-5-17-18-7-9(11(12,13)14)6-16-10(8)18/h5-7,15H,2-4H2,1H3.
What are the key properties of N-methyl-3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-amine?
N-methyl-3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-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-3-yl]propan-1-amine is sourced from PubChem (CID 84729457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).