5-[5-(1-cyclobutylpiperidin-4-yl)-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine

C21H28F3N5 — CID 78318248

IUPAC5-[5-(1-cyclobutylpiperidin-4-yl)-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1C1CCN(C2CCC2)CC1
InChIInChI=1S/C21H28F3N5/c1-13(2)29-19(14-6-8-28(9-7-14)16-4-3-5-16)11-18(27-29)15-10-17(21(22,23)24)20(25)26-12-15/h10-14,16H,3-9H2,1-2H3,(H2,25,26)
InChIKeyGCYYFPLNLTVLQL-UHFFFAOYSA-N
MW407.48 g/mol
LogP4.86
Rot. Bonds4

About 5-[5-(1-cyclobutylpiperidin-4-yl)-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine

5-[5-(1-cyclobutylpiperidin-4-yl)-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 78318248) has the molecular formula C21H28F3N5 and a molecular weight of 407.48 g/mol. Its IUPAC name is 5-[5-(1-cyclobutylpiperidin-4-yl)-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[5-(1-cyclobutylpiperidin-4-yl)-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID78318248
Molecular FormulaC21H28F3N5
Molecular Weight407.48 g/mol
Exact Mass407.23
IUPAC Name5-[5-(1-cyclobutylpiperidin-4-yl)-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1C1CCN(C2CCC2)CC1
InChIInChI=1S/C21H28F3N5/c1-13(2)29-19(14-6-8-28(9-7-14)16-4-3-5-16)11-18(27-29)15-10-17(21(22,23)24)20(25)26-12-15/h10-14,16H,3-9H2,1-2H3,(H2,25,26)
InChIKeyGCYYFPLNLTVLQL-UHFFFAOYSA-N
XLogP4.86
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(1-cyclobutylpiperidin-4-yl)-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[5-(1-cyclobutylpiperidin-4-yl)-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine (CID 78318248) is 5-[5-(1-cyclobutylpiperidin-4-yl)-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[5-(1-cyclobutylpiperidin-4-yl)-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[5-(1-cyclobutylpiperidin-4-yl)-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine is CC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1C1CCN(C2CCC2)CC1.
What is the InChIKey of 5-[5-(1-cyclobutylpiperidin-4-yl)-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is GCYYFPLNLTVLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28F3N5/c1-13(2)29-19(14-6-8-28(9-7-14)16-4-3-5-16)11-18(27-29)15-10-17(21(22,23)24)20(25)26-12-15/h10-14,16H,3-9H2,1-2H3,(H2,25,26).
What are the key properties of 5-[5-(1-cyclobutylpiperidin-4-yl)-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?
5-[5-(1-cyclobutylpiperidin-4-yl)-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 407.48 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(1-cyclobutylpiperidin-4-yl)-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 78318248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).