5-[5-(1-methylazetidin-3-yl)-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine

C16H20F3N5 — CID 78318370

IUPAC5-[5-(1-methylazetidin-3-yl)-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1C1CN(C)C1
InChIInChI=1S/C16H20F3N5/c1-9(2)24-14(11-7-23(3)8-11)5-13(22-24)10-4-12(16(17,18)19)15(20)21-6-10/h4-6,9,11H,7-8H2,1-3H3,(H2,20,21)
InChIKeyHYPBNNYDVQXIID-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.16
Rot. Bonds3

About 5-[5-(1-methylazetidin-3-yl)-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine

5-[5-(1-methylazetidin-3-yl)-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 78318370) has the molecular formula C16H20F3N5 and a molecular weight of 339.37 g/mol. Its IUPAC name is 5-[5-(1-methylazetidin-3-yl)-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[5-(1-methylazetidin-3-yl)-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID78318370
Molecular FormulaC16H20F3N5
Molecular Weight339.37 g/mol
Exact Mass339.17
IUPAC Name5-[5-(1-methylazetidin-3-yl)-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1C1CN(C)C1
InChIInChI=1S/C16H20F3N5/c1-9(2)24-14(11-7-23(3)8-11)5-13(22-24)10-4-12(16(17,18)19)15(20)21-6-10/h4-6,9,11H,7-8H2,1-3H3,(H2,20,21)
InChIKeyHYPBNNYDVQXIID-UHFFFAOYSA-N
XLogP3.16
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(1-methylazetidin-3-yl)-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[5-(1-methylazetidin-3-yl)-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine (CID 78318370) is 5-[5-(1-methylazetidin-3-yl)-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[5-(1-methylazetidin-3-yl)-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[5-(1-methylazetidin-3-yl)-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine is CC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1C1CN(C)C1.
What is the InChIKey of 5-[5-(1-methylazetidin-3-yl)-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is HYPBNNYDVQXIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N5/c1-9(2)24-14(11-7-23(3)8-11)5-13(22-24)10-4-12(16(17,18)19)15(20)21-6-10/h4-6,9,11H,7-8H2,1-3H3,(H2,20,21).
What are the key properties of 5-[5-(1-methylazetidin-3-yl)-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?
5-[5-(1-methylazetidin-3-yl)-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 339.37 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(1-methylazetidin-3-yl)-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 78318370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).