N-(1-ethyl-4-methylpyrazol-5-yl)-1-methylpiperidine-2-carboxamide;2,2,2-trifluoroacetic acid

C15H23F3N4O3 — CID 171686872

IUPACN-(1-ethyl-4-methylpyrazol-5-yl)-1-methylpiperidine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCn1ncc(C)c1NC(=O)C1CCCCN1C.O=C(O)C(F)(F)F
InChIInChI=1S/C13H22N4O.C2HF3O2/c1-4-17-12(10(2)9-14-17)15-13(18)11-7-5-6-8-16(11)3;3-2(4,5)1(6)7/h9,11H,4-8H2,1-3H3,(H,15,18);(H,6,7)
InChIKeyRTTDZVGAHPODPE-UHFFFAOYSA-N
MW364.37 g/mol
LogP2.27
Rot. Bonds3

About N-(1-ethyl-4-methylpyrazol-5-yl)-1-methylpiperidine-2-carboxamide;2,2,2-trifluoroacetic acid

N-(1-ethyl-4-methylpyrazol-5-yl)-1-methylpiperidine-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 171686872) has the molecular formula C15H23F3N4O3 and a molecular weight of 364.37 g/mol. Its IUPAC name is N-(1-ethyl-4-methylpyrazol-5-yl)-1-methylpiperidine-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(1-ethyl-4-methylpyrazol-5-yl)-1-methylpiperidine-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID171686872
Molecular FormulaC15H23F3N4O3
Molecular Weight364.37 g/mol
Exact Mass364.17
IUPAC NameN-(1-ethyl-4-methylpyrazol-5-yl)-1-methylpiperidine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCn1ncc(C)c1NC(=O)C1CCCCN1C.O=C(O)C(F)(F)F
InChIInChI=1S/C13H22N4O.C2HF3O2/c1-4-17-12(10(2)9-14-17)15-13(18)11-7-5-6-8-16(11)3;3-2(4,5)1(6)7/h9,11H,4-8H2,1-3H3,(H,15,18);(H,6,7)
InChIKeyRTTDZVGAHPODPE-UHFFFAOYSA-N
XLogP2.27
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methyl-1-propyl-1H-pyrazol-5-yl)-2-(2-oxopiperidin-1-yl)acetamide
CID 132409067
(2S)-N-(1-ethyl-4-methylpyrazol-5-yl)-1-methylazepane-2-carboxamide
CID 164639224
(2S,4R)-4-fluoro-2-[[4-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]carbamoyl]pyrrolidine-1-carboxylic acid
CID 126643172
N-(1,4-dimethylpyrazol-5-yl)-1-ethylpiperidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 154888716
N-(1-ethyl-4-methylpyrazol-5-yl)-2-(1-methylpiperidin-2-yl)acetamide;2,2,2-trifluoroacetic acid
CID 154888883
1-[4-[(4-Methyl-1-propylpyrazol-5-yl)amino]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid
CID 154891726
(2S)-N-(1,4-dimethylpyrazol-5-yl)-1-propylpiperidine-2-carboxamide
CID 141479982
(2S)-N-(1,4-dimethylpyrazol-5-yl)-1-propylpiperidine-2-carboxamide;hydrochloride
CID 141479994
N-(1,4-dimethylpyrazol-5-yl)-2-[(2R)-1-methylpiperidin-2-yl]acetamide
CID 39794123
N-(1,4-dimethylpyrazol-5-yl)-2-[(2S)-1-methylpiperidin-2-yl]acetamide
CID 39794125
1-[2-Oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]piperidine-2-carboxylic acid
CID 43441242
N-(1,4-dimethyl-1H-pyrazol-5-yl)-2-(1-methyl-2-piperidinyl)acetamide
CID 45931132

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-4-methylpyrazol-5-yl)-1-methylpiperidine-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(1-ethyl-4-methylpyrazol-5-yl)-1-methylpiperidine-2-carboxamide;2,2,2-trifluoroacetic acid (CID 171686872) is N-(1-ethyl-4-methylpyrazol-5-yl)-1-methylpiperidine-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(1-ethyl-4-methylpyrazol-5-yl)-1-methylpiperidine-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(1-ethyl-4-methylpyrazol-5-yl)-1-methylpiperidine-2-carboxamide;2,2,2-trifluoroacetic acid is CCn1ncc(C)c1NC(=O)C1CCCCN1C.O=C(O)C(F)(F)F.
What is the InChIKey of N-(1-ethyl-4-methylpyrazol-5-yl)-1-methylpiperidine-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is RTTDZVGAHPODPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O.C2HF3O2/c1-4-17-12(10(2)9-14-17)15-13(18)11-7-5-6-8-16(11)3;3-2(4,5)1(6)7/h9,11H,4-8H2,1-3H3,(H,15,18);(H,6,7).
What are the key properties of N-(1-ethyl-4-methylpyrazol-5-yl)-1-methylpiperidine-2-carboxamide;2,2,2-trifluoroacetic acid?
N-(1-ethyl-4-methylpyrazol-5-yl)-1-methylpiperidine-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 364.37 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-4-methylpyrazol-5-yl)-1-methylpiperidine-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 171686872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).