N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C15H24F3N5O — CID 120812747

IUPACN-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)NCC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C15H24F3N5O/c1-10-12(11(2)22(3)21-10)8-14(24)20-9-13(15(16,17)18)23-6-4-19-5-7-23/h13,19H,4-9H2,1-3H3,(H,20,24)
InChIKeyGVJUVOHEEFAROY-UHFFFAOYSA-N
MW347.39 g/mol
LogP0.53
Rot. Bonds5

About N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 120812747) has the molecular formula C15H24F3N5O and a molecular weight of 347.39 g/mol. Its IUPAC name is N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID120812747
Molecular FormulaC15H24F3N5O
Molecular Weight347.39 g/mol
Exact Mass347.19
IUPAC NameN-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)NCC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C15H24F3N5O/c1-10-12(11(2)22(3)21-10)8-14(24)20-9-13(15(16,17)18)23-6-4-19-5-7-23/h13,19H,4-9H2,1-3H3,(H,20,24)
InChIKeyGVJUVOHEEFAROY-UHFFFAOYSA-N
XLogP0.53
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,5-dimethylpyrazol-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 155953925
3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 120812358
2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120811087
2-(4-chlorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120811781
2-(4-acetylphenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120812420
4-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide
CID 120813533
2,6-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-3-carboxamide
CID 120811797
2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120811531
2-(2,6-dimethylphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120813837
N-[2-(methylamino)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide;dihydrochloride
CID 120828294
2-(2,6-dimethylphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120813836
3-methyl-1-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrazole-4-carboxamide
CID 120813285

Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 120812747) is N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1CC(=O)NCC(N1CCNCC1)C(F)(F)F.
What is the InChIKey of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is GVJUVOHEEFAROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3N5O/c1-10-12(11(2)22(3)21-10)8-14(24)20-9-13(15(16,17)18)23-6-4-19-5-7-23/h13,19H,4-9H2,1-3H3,(H,20,24).
What are the key properties of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 347.39 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 120812747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).