1,1,1-trifluoro-3-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol

C10H11F3N4O — CID 56896179

IUPAC1,1,1-trifluoro-3-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol
SMILESCc1cc(NCC(O)C(F)(F)F)n2nccc2n1
InChIInChI=1S/C10H11F3N4O/c1-6-4-9(14-5-7(18)10(11,12)13)17-8(16-6)2-3-15-17/h2-4,7,14,18H,5H2,1H3
InChIKeyWJLLUIIVBDQSDR-UHFFFAOYSA-N
MW260.22 g/mol
LogP1.37
Rot. Bonds3

About 1,1,1-trifluoro-3-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol

1,1,1-trifluoro-3-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol (PubChem CID 56896179) has the molecular formula C10H11F3N4O and a molecular weight of 260.22 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol
PubChem CID56896179
Molecular FormulaC10H11F3N4O
Molecular Weight260.22 g/mol
Exact Mass260.09
IUPAC Name1,1,1-trifluoro-3-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol
SMILESCc1cc(NCC(O)C(F)(F)F)n2nccc2n1
InChIInChI=1S/C10H11F3N4O/c1-6-4-9(14-5-7(18)10(11,12)13)17-8(16-6)2-3-15-17/h2-4,7,14,18H,5H2,1H3
InChIKeyWJLLUIIVBDQSDR-UHFFFAOYSA-N
XLogP1.37
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1,1,1-trifluoro-3-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol with MolForge

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Related Compounds

7-(2-(18F)fluoroethylamino)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 52950370
5-Methylpyrazolo(1,5-a)pyrimidin-7-amine
CID 24844388
2-[(5-Methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]acetic acid
CID 12366049
3-Bromo-5-methyl-N-propylpyrazolo[1,5-a]pyrimidin-7-amine
CID 12366051
N-Hexyl-5-methylpyrazolo[1,5-A]pyrimidin-7-amine
CID 12366052
N-Heptyl-5-methylpyrazolo[1,5-A]pyrimidin-7-amine
CID 12366053
5-Methyl-N-octylpyrazolo[1,5-A]pyrimidin-7-amine
CID 12366054
5-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride
CID 12366069
2-[(5-Methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethanol
CID 44317771
3-bromo-N-(2,2-dimethoxyethyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 44317772
3-bromo-N-butyl-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 44317773
3-ethyl-5-methyl-N-propylpyrazolo[1,5-a]pyrimidin-7-amine
CID 44317959

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol (CID 56896179) is 1,1,1-trifluoro-3-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol is Cc1cc(NCC(O)C(F)(F)F)n2nccc2n1.
What is the InChIKey of 1,1,1-trifluoro-3-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol?
The InChIKey is WJLLUIIVBDQSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O/c1-6-4-9(14-5-7(18)10(11,12)13)17-8(16-6)2-3-15-17/h2-4,7,14,18H,5H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol?
1,1,1-trifluoro-3-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol has a molecular weight of 260.22 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol is sourced from PubChem (CID 56896179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).