N-(5-piperidin-4-yl-1-propan-2-ylpyrazol-3-yl)-4-(trifluoromethyl)pyridin-2-amine

C17H22F3N5 — CID 91936969

IUPACN-(5-piperidin-4-yl-1-propan-2-ylpyrazol-3-yl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)n1nc(Nc2cc(C(F)(F)F)ccn2)cc1C1CCNCC1
InChIInChI=1S/C17H22F3N5/c1-11(2)25-14(12-3-6-21-7-4-12)10-16(24-25)23-15-9-13(5-8-22-15)17(18,19)20/h5,8-12,21H,3-4,6-7H2,1-2H3,(H,22,23,24)
InChIKeyVBUUATKGJOATLP-UHFFFAOYSA-N
MW353.39 g/mol
LogP4.09
Rot. Bonds4

About N-(5-piperidin-4-yl-1-propan-2-ylpyrazol-3-yl)-4-(trifluoromethyl)pyridin-2-amine

N-(5-piperidin-4-yl-1-propan-2-ylpyrazol-3-yl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 91936969) has the molecular formula C17H22F3N5 and a molecular weight of 353.39 g/mol. Its IUPAC name is N-(5-piperidin-4-yl-1-propan-2-ylpyrazol-3-yl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(5-piperidin-4-yl-1-propan-2-ylpyrazol-3-yl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID91936969
Molecular FormulaC17H22F3N5
Molecular Weight353.39 g/mol
Exact Mass353.18
IUPAC NameN-(5-piperidin-4-yl-1-propan-2-ylpyrazol-3-yl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)n1nc(Nc2cc(C(F)(F)F)ccn2)cc1C1CCNCC1
InChIInChI=1S/C17H22F3N5/c1-11(2)25-14(12-3-6-21-7-4-12)10-16(24-25)23-15-9-13(5-8-22-15)17(18,19)20/h5,8-12,21H,3-4,6-7H2,1-2H3,(H,22,23,24)
InChIKeyVBUUATKGJOATLP-UHFFFAOYSA-N
XLogP4.09
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-piperidin-4-yl-1-propan-2-ylpyrazol-3-yl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(5-piperidin-4-yl-1-propan-2-ylpyrazol-3-yl)-4-(trifluoromethyl)pyridin-2-amine (CID 91936969) is N-(5-piperidin-4-yl-1-propan-2-ylpyrazol-3-yl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(5-piperidin-4-yl-1-propan-2-ylpyrazol-3-yl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(5-piperidin-4-yl-1-propan-2-ylpyrazol-3-yl)-4-(trifluoromethyl)pyridin-2-amine is CC(C)n1nc(Nc2cc(C(F)(F)F)ccn2)cc1C1CCNCC1.
What is the InChIKey of N-(5-piperidin-4-yl-1-propan-2-ylpyrazol-3-yl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is VBUUATKGJOATLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N5/c1-11(2)25-14(12-3-6-21-7-4-12)10-16(24-25)23-15-9-13(5-8-22-15)17(18,19)20/h5,8-12,21H,3-4,6-7H2,1-2H3,(H,22,23,24).
What are the key properties of N-(5-piperidin-4-yl-1-propan-2-ylpyrazol-3-yl)-4-(trifluoromethyl)pyridin-2-amine?
N-(5-piperidin-4-yl-1-propan-2-ylpyrazol-3-yl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 353.39 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-piperidin-4-yl-1-propan-2-ylpyrazol-3-yl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 91936969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).