5-[5-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine

C17H20F3N5 — CID 90292800

IUPAC5-[5-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1C1[C@H]2CNC[C@@H]12
InChIInChI=1S/C17H20F3N5/c1-8(2)25-14(15-10-6-22-7-11(10)15)4-13(24-25)9-3-12(17(18,19)20)16(21)23-5-9/h3-5,8,10-11,15,22H,6-7H2,1-2H3,(H2,21,23)/t10-,11+,15?
InChIKeyNPGXBLHPUWVHMX-YWXMQNBFSA-N
MW351.38 g/mol
LogP3.06
Rot. Bonds3

About 5-[5-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine

5-[5-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 90292800) has the molecular formula C17H20F3N5 and a molecular weight of 351.38 g/mol. Its IUPAC name is 5-[5-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[5-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID90292800
Molecular FormulaC17H20F3N5
Molecular Weight351.38 g/mol
Exact Mass351.17
IUPAC Name5-[5-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1C1[C@H]2CNC[C@@H]12
InChIInChI=1S/C17H20F3N5/c1-8(2)25-14(15-10-6-22-7-11(10)15)4-13(24-25)9-3-12(17(18,19)20)16(21)23-5-9/h3-5,8,10-11,15,22H,6-7H2,1-2H3,(H2,21,23)/t10-,11+,15?
InChIKeyNPGXBLHPUWVHMX-YWXMQNBFSA-N
XLogP3.06
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[5-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine (CID 90292800) is 5-[5-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[5-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[5-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine is CC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1C1[C@H]2CNC[C@@H]12.
What is the InChIKey of 5-[5-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is NPGXBLHPUWVHMX-YWXMQNBFSA-N. The full InChI is InChI=1S/C17H20F3N5/c1-8(2)25-14(15-10-6-22-7-11(10)15)4-13(24-25)9-3-12(17(18,19)20)16(21)23-5-9/h3-5,8,10-11,15,22H,6-7H2,1-2H3,(H2,21,23)/t10-,11+,15?.
What are the key properties of 5-[5-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?
5-[5-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 351.38 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 90292800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).