2-[4-[1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrazol-4-yl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C16H21F6N5O2 — CID 51136170

IUPAC2-[4-[1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrazol-4-yl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1CCC(c2cnn(CC(=O)NCC(F)(F)F)c2)CC1)NCC(F)(F)F
InChIInChI=1S/C16H21F6N5O2/c17-15(18,19)9-23-13(28)7-26-3-1-11(2-4-26)12-5-25-27(6-12)8-14(29)24-10-16(20,21)22/h5-6,11H,1-4,7-10H2,(H,23,28)(H,24,29)
InChIKeyNJFNJWLTZSZASN-UHFFFAOYSA-N
MW429.37 g/mol
LogP1.42
Rot. Bonds7

About 2-[4-[1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrazol-4-yl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[4-[1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrazol-4-yl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 51136170) has the molecular formula C16H21F6N5O2 and a molecular weight of 429.37 g/mol. Its IUPAC name is 2-[4-[1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrazol-4-yl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[4-[1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrazol-4-yl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID51136170
Molecular FormulaC16H21F6N5O2
Molecular Weight429.37 g/mol
Exact Mass429.16
IUPAC Name2-[4-[1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrazol-4-yl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1CCC(c2cnn(CC(=O)NCC(F)(F)F)c2)CC1)NCC(F)(F)F
InChIInChI=1S/C16H21F6N5O2/c17-15(18,19)9-23-13(28)7-26-3-1-11(2-4-26)12-5-25-27(6-12)8-14(29)24-10-16(20,21)22/h5-6,11H,1-4,7-10H2,(H,23,28)(H,24,29)
InChIKeyNJFNJWLTZSZASN-UHFFFAOYSA-N
XLogP1.42
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.37
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrazol-4-yl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[4-[1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrazol-4-yl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 51136170) is 2-[4-[1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrazol-4-yl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[4-[1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrazol-4-yl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[4-[1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrazol-4-yl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is O=C(CN1CCC(c2cnn(CC(=O)NCC(F)(F)F)c2)CC1)NCC(F)(F)F.
What is the InChIKey of 2-[4-[1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrazol-4-yl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is NJFNJWLTZSZASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F6N5O2/c17-15(18,19)9-23-13(28)7-26-3-1-11(2-4-26)12-5-25-27(6-12)8-14(29)24-10-16(20,21)22/h5-6,11H,1-4,7-10H2,(H,23,28)(H,24,29).
What are the key properties of 2-[4-[1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrazol-4-yl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[4-[1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrazol-4-yl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 429.37 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrazol-4-yl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 51136170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).