(2R)-4-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-2-(trifluoromethyl)morpholine

C14H17F3N4O — CID 95707095

IUPAC(2R)-4-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-2-(trifluoromethyl)morpholine
SMILESCC(C)c1cc(N2CCO[C@@H](C(F)(F)F)C2)n2nccc2n1
InChIInChI=1S/C14H17F3N4O/c1-9(2)10-7-13(21-12(19-10)3-4-18-21)20-5-6-22-11(8-20)14(15,16)17/h3-4,7,9,11H,5-6,8H2,1-2H3/t11-/m1/s1
InChIKeyAQHUMSQMRLFRHU-LLVKDONJSA-N
MW314.31 g/mol
LogP2.62
Rot. Bonds2

About (2R)-4-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-2-(trifluoromethyl)morpholine

(2R)-4-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-2-(trifluoromethyl)morpholine (PubChem CID 95707095) has the molecular formula C14H17F3N4O and a molecular weight of 314.31 g/mol. Its IUPAC name is (2R)-4-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-2-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name(2R)-4-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-2-(trifluoromethyl)morpholine
PubChem CID95707095
Molecular FormulaC14H17F3N4O
Molecular Weight314.31 g/mol
Exact Mass314.14
IUPAC Name(2R)-4-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-2-(trifluoromethyl)morpholine
SMILESCC(C)c1cc(N2CCO[C@@H](C(F)(F)F)C2)n2nccc2n1
InChIInChI=1S/C14H17F3N4O/c1-9(2)10-7-13(21-12(19-10)3-4-18-21)20-5-6-22-11(8-20)14(15,16)17/h3-4,7,9,11H,5-6,8H2,1-2H3/t11-/m1/s1
InChIKeyAQHUMSQMRLFRHU-LLVKDONJSA-N
XLogP2.62
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-Cyclopropyl-7-(difluoromethyl)-3-(4-morpholinylcarbonyl)pyrazolo[1,5-a]pyrimidine
CID 2165688
4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-(pyrazol-1-ylmethyl)morpholine
CID 53566151
N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 56789651
7-[(3S)-3-fluoro-1-pyrrolidinyl]-5-isopropylpyrazolo[1,5-a]pyrimidine
CID 56884125
1-(5-Isopropyl-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-4-piperidinol
CID 56886305
5-Isopropyl-7-{4-[1-(1-pyrrolidinyl)ethyl]-1-piperidinyl}pyrazolo[1,5-a]pyrimidine
CID 56891319
3-[(5-Ethylpyrazolo[1,5-a]pyrimidin-7-yl)(methyl)amino]-1-propanol
CID 56892682
5-Isopropyl-2-methyl-7-[4-(2-pyrimidinyloxy)-1-piperidinyl]pyrazolo[1,5-a]pyrimidine
CID 56906033
(3S)-1-(5-isopropylpyrazolo[1,5-a]pyrimidin-7-yl)-3-piperidinamine
CID 56907968
2-(3-{[(5-Isopropyl-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)(methyl)amino]methyl}-1-piperidinyl)ethanol
CID 56913693
5-propyl-N-[2-(tetrahydro-2H-pyran-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56915145
5-Isopropyl-7-thiomorpholin-4-ylpyrazolo[1,5-a]pyrimidine
CID 70749934

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-2-(trifluoromethyl)morpholine?
The IUPAC name of (2R)-4-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-2-(trifluoromethyl)morpholine (CID 95707095) is (2R)-4-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-2-(trifluoromethyl)morpholine.
What is the SMILES notation for (2R)-4-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-2-(trifluoromethyl)morpholine?
The canonical SMILES for (2R)-4-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-2-(trifluoromethyl)morpholine is CC(C)c1cc(N2CCO[C@@H](C(F)(F)F)C2)n2nccc2n1.
What is the InChIKey of (2R)-4-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-2-(trifluoromethyl)morpholine?
The InChIKey is AQHUMSQMRLFRHU-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17F3N4O/c1-9(2)10-7-13(21-12(19-10)3-4-18-21)20-5-6-22-11(8-20)14(15,16)17/h3-4,7,9,11H,5-6,8H2,1-2H3/t11-/m1/s1.
What are the key properties of (2R)-4-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-2-(trifluoromethyl)morpholine?
(2R)-4-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-2-(trifluoromethyl)morpholine has a molecular weight of 314.31 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-2-(trifluoromethyl)morpholine is sourced from PubChem (CID 95707095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).