(3R)-1-pyrazolo[1,5-a]pyrimidin-5-yl-4-(2,4,5-trifluorophenyl)piperidin-3-amine

C17H16F3N5 — CID 70794325

IUPAC(3R)-1-pyrazolo[1,5-a]pyrimidin-5-yl-4-(2,4,5-trifluorophenyl)piperidin-3-amine
SMILESN[C@H]1CN(c2ccn3nccc3n2)CCC1c1cc(F)c(F)cc1F
InChIInChI=1S/C17H16F3N5/c18-12-8-14(20)13(19)7-11(12)10-2-5-24(9-15(10)21)16-3-6-25-17(23-16)1-4-22-25/h1,3-4,6-8,10,15H,2,5,9,21H2/t10?,15-/m0/s1
InChIKeyMZTFLTHGIZEHLG-WRXSAAJRSA-N
MW347.34 g/mol
LogP2.47
Rot. Bonds2

About (3R)-1-pyrazolo[1,5-a]pyrimidin-5-yl-4-(2,4,5-trifluorophenyl)piperidin-3-amine

(3R)-1-pyrazolo[1,5-a]pyrimidin-5-yl-4-(2,4,5-trifluorophenyl)piperidin-3-amine (PubChem CID 70794325) has the molecular formula C17H16F3N5 and a molecular weight of 347.34 g/mol. Its IUPAC name is (3R)-1-pyrazolo[1,5-a]pyrimidin-5-yl-4-(2,4,5-trifluorophenyl)piperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-pyrazolo[1,5-a]pyrimidin-5-yl-4-(2,4,5-trifluorophenyl)piperidin-3-amine
PubChem CID70794325
Molecular FormulaC17H16F3N5
Molecular Weight347.34 g/mol
Exact Mass347.14
IUPAC Name(3R)-1-pyrazolo[1,5-a]pyrimidin-5-yl-4-(2,4,5-trifluorophenyl)piperidin-3-amine
SMILESN[C@H]1CN(c2ccn3nccc3n2)CCC1c1cc(F)c(F)cc1F
InChIInChI=1S/C17H16F3N5/c18-12-8-14(20)13(19)7-11(12)10-2-5-24(9-15(10)21)16-3-6-25-17(23-16)1-4-22-25/h1,3-4,6-8,10,15H,2,5,9,21H2/t10?,15-/m0/s1
InChIKeyMZTFLTHGIZEHLG-WRXSAAJRSA-N
XLogP2.47
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-pyrazolo[1,5-a]pyrimidin-5-yl-4-(2,4,5-trifluorophenyl)piperidin-3-amine?
The IUPAC name of (3R)-1-pyrazolo[1,5-a]pyrimidin-5-yl-4-(2,4,5-trifluorophenyl)piperidin-3-amine (CID 70794325) is (3R)-1-pyrazolo[1,5-a]pyrimidin-5-yl-4-(2,4,5-trifluorophenyl)piperidin-3-amine.
What is the SMILES notation for (3R)-1-pyrazolo[1,5-a]pyrimidin-5-yl-4-(2,4,5-trifluorophenyl)piperidin-3-amine?
The canonical SMILES for (3R)-1-pyrazolo[1,5-a]pyrimidin-5-yl-4-(2,4,5-trifluorophenyl)piperidin-3-amine is N[C@H]1CN(c2ccn3nccc3n2)CCC1c1cc(F)c(F)cc1F.
What is the InChIKey of (3R)-1-pyrazolo[1,5-a]pyrimidin-5-yl-4-(2,4,5-trifluorophenyl)piperidin-3-amine?
The InChIKey is MZTFLTHGIZEHLG-WRXSAAJRSA-N. The full InChI is InChI=1S/C17H16F3N5/c18-12-8-14(20)13(19)7-11(12)10-2-5-24(9-15(10)21)16-3-6-25-17(23-16)1-4-22-25/h1,3-4,6-8,10,15H,2,5,9,21H2/t10?,15-/m0/s1.
What are the key properties of (3R)-1-pyrazolo[1,5-a]pyrimidin-5-yl-4-(2,4,5-trifluorophenyl)piperidin-3-amine?
(3R)-1-pyrazolo[1,5-a]pyrimidin-5-yl-4-(2,4,5-trifluorophenyl)piperidin-3-amine has a molecular weight of 347.34 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-pyrazolo[1,5-a]pyrimidin-5-yl-4-(2,4,5-trifluorophenyl)piperidin-3-amine is sourced from PubChem (CID 70794325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).