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

C11H13F3N4 — CID 84729456

IUPACN-methyl-1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propan-2-amine
SMILESCNC(C)Cc1cnn2cc(C(F)(F)F)cnc12
InChIInChI=1S/C11H13F3N4/c1-7(15-2)3-8-4-17-18-6-9(11(12,13)14)5-16-10(8)18/h4-7,15H,3H2,1-2H3
InChIKeySQLRFBDJHMSVBB-UHFFFAOYSA-N
MW258.25 g/mol
LogP1.90
Rot. Bonds3

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

N-methyl-1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propan-2-amine (PubChem CID 84729456) has the molecular formula C11H13F3N4 and a molecular weight of 258.25 g/mol. Its IUPAC name is N-methyl-1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propan-2-amine
PubChem CID84729456
Molecular FormulaC11H13F3N4
Molecular Weight258.25 g/mol
Exact Mass258.11
IUPAC NameN-methyl-1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propan-2-amine
SMILESCNC(C)Cc1cnn2cc(C(F)(F)F)cnc12
InChIInChI=1S/C11H13F3N4/c1-7(15-2)3-8-4-17-18-6-9(11(12,13)14)5-16-10(8)18/h4-7,15H,3H2,1-2H3
InChIKeySQLRFBDJHMSVBB-UHFFFAOYSA-N
XLogP1.90
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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

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Related Compounds

5-ethyl-2-methyl-N-[1-(1-methyl-1H-pyrazol-4-yl)propyl]pyrimidin-4-amine
CID 50964673
(11R)-4,5,11-trimethyl-14-(trifluoromethyl)-2,6,7,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,5,13(17),14-pentaene
CID 170397322
(11S)-4,5,11-trimethyl-14-(trifluoromethyl)-2,6,7,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,5,13(17),14-pentaene
CID 170591919
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
N-[(1R)-2-methyl-1-(1-methylpyrazol-4-yl)propyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 172472294
8-cyclopentyl-N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 68940652
6-butan-2-yl-5-chloro-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 87740251
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
6-butan-2-yl-5-chloro-3-(methoxyiminomethyl)-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 136622270

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propan-2-amine?
The IUPAC name of N-methyl-1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propan-2-amine (CID 84729456) is N-methyl-1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propan-2-amine.
What is the SMILES notation for N-methyl-1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propan-2-amine?
The canonical SMILES for N-methyl-1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propan-2-amine is CNC(C)Cc1cnn2cc(C(F)(F)F)cnc12.
What is the InChIKey of N-methyl-1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propan-2-amine?
The InChIKey is SQLRFBDJHMSVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4/c1-7(15-2)3-8-4-17-18-6-9(11(12,13)14)5-16-10(8)18/h4-7,15H,3H2,1-2H3.
What are the key properties of N-methyl-1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propan-2-amine?
N-methyl-1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propan-2-amine has a molecular weight of 258.25 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propan-2-amine is sourced from PubChem (CID 84729456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).