1-[4-[(4-methyl-1-propylpyrazol-5-yl)amino]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid

C16H25F3N4O3 — CID 154891726

IUPAC1-[4-[(4-methyl-1-propylpyrazol-5-yl)amino]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid
SMILESCCCn1ncc(C)c1NC1CCN(C(C)=O)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H24N4O.C2HF3O2/c1-4-7-18-14(11(2)10-15-18)16-13-5-8-17(9-6-13)12(3)19;3-2(4,5)1(6)7/h10,13,16H,4-9H2,1-3H3;(H,6,7)
InChIKeyAZERNMLUUOWIQU-UHFFFAOYSA-N
MW378.40 g/mol
LogP2.66
Rot. Bonds4

About 1-[4-[(4-methyl-1-propylpyrazol-5-yl)amino]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid

1-[4-[(4-methyl-1-propylpyrazol-5-yl)amino]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid (PubChem CID 154891726) has the molecular formula C16H25F3N4O3 and a molecular weight of 378.40 g/mol. Its IUPAC name is 1-[4-[(4-methyl-1-propylpyrazol-5-yl)amino]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-[4-[(4-methyl-1-propylpyrazol-5-yl)amino]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid
PubChem CID154891726
Molecular FormulaC16H25F3N4O3
Molecular Weight378.40 g/mol
Exact Mass378.19
IUPAC Name1-[4-[(4-methyl-1-propylpyrazol-5-yl)amino]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid
SMILESCCCn1ncc(C)c1NC1CCN(C(C)=O)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H24N4O.C2HF3O2/c1-4-7-18-14(11(2)10-15-18)16-13-5-8-17(9-6-13)12(3)19;3-2(4,5)1(6)7/h10,13,16H,4-9H2,1-3H3;(H,6,7)
InChIKeyAZERNMLUUOWIQU-UHFFFAOYSA-N
XLogP2.66
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-methyl-1-propylpyrazol-5-yl)amino]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-[4-[(4-methyl-1-propylpyrazol-5-yl)amino]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid (CID 154891726) is 1-[4-[(4-methyl-1-propylpyrazol-5-yl)amino]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-[4-[(4-methyl-1-propylpyrazol-5-yl)amino]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-[4-[(4-methyl-1-propylpyrazol-5-yl)amino]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid is CCCn1ncc(C)c1NC1CCN(C(C)=O)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-[4-[(4-methyl-1-propylpyrazol-5-yl)amino]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid?
The InChIKey is AZERNMLUUOWIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O.C2HF3O2/c1-4-7-18-14(11(2)10-15-18)16-13-5-8-17(9-6-13)12(3)19;3-2(4,5)1(6)7/h10,13,16H,4-9H2,1-3H3;(H,6,7).
What are the key properties of 1-[4-[(4-methyl-1-propylpyrazol-5-yl)amino]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid?
1-[4-[(4-methyl-1-propylpyrazol-5-yl)amino]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid has a molecular weight of 378.40 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-methyl-1-propylpyrazol-5-yl)amino]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154891726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).