5-propan-2-yl-N-[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

C18H19F3N4 — CID 95714013

IUPAC5-propan-2-yl-N-[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)c1cc(N[C@H](C)c2ccccc2C(F)(F)F)n2nccc2n1
InChIInChI=1S/C18H19F3N4/c1-11(2)15-10-17(25-16(24-15)8-9-22-25)23-12(3)13-6-4-5-7-14(13)18(19,20)21/h4-12,23H,1-3H3/t12-/m1/s1
InChIKeyMDHXLIZTBPRVJU-GFCCVEGCSA-N
MW348.37 g/mol
LogP5.04
Rot. Bonds4

About 5-propan-2-yl-N-[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

5-propan-2-yl-N-[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 95714013) has the molecular formula C18H19F3N4 and a molecular weight of 348.37 g/mol. Its IUPAC name is 5-propan-2-yl-N-[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-propan-2-yl-N-[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID95714013
Molecular FormulaC18H19F3N4
Molecular Weight348.37 g/mol
Exact Mass348.16
IUPAC Name5-propan-2-yl-N-[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)c1cc(N[C@H](C)c2ccccc2C(F)(F)F)n2nccc2n1
InChIInChI=1S/C18H19F3N4/c1-11(2)15-10-17(25-16(24-15)8-9-22-25)23-12(3)13-6-4-5-7-14(13)18(19,20)21/h4-12,23H,1-3H3/t12-/m1/s1
InChIKeyMDHXLIZTBPRVJU-GFCCVEGCSA-N
XLogP5.04
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.37
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-N-[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-propan-2-yl-N-[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 95714013) is 5-propan-2-yl-N-[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-propan-2-yl-N-[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-propan-2-yl-N-[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine is CC(C)c1cc(N[C@H](C)c2ccccc2C(F)(F)F)n2nccc2n1.
What is the InChIKey of 5-propan-2-yl-N-[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is MDHXLIZTBPRVJU-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H19F3N4/c1-11(2)15-10-17(25-16(24-15)8-9-22-25)23-12(3)13-6-4-5-7-14(13)18(19,20)21/h4-12,23H,1-3H3/t12-/m1/s1.
What are the key properties of 5-propan-2-yl-N-[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
5-propan-2-yl-N-[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 348.37 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-N-[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 95714013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).