N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

C15H21F3N4O2 — CID 110717151

IUPACN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESCc1n[nH]c(C)c1CCNC(=O)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C15H21F3N4O2/c1-9-12(10(2)21-20-9)3-6-19-13(23)11-4-7-22(8-5-11)14(24)15(16,17)18/h11H,3-8H2,1-2H3,(H,19,23)(H,20,21)
InChIKeyDLTNHBLUDANHRT-UHFFFAOYSA-N
MW346.35 g/mol
LogP1.49
Rot. Bonds4

About N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (PubChem CID 110717151) has the molecular formula C15H21F3N4O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
PubChem CID110717151
Molecular FormulaC15H21F3N4O2
Molecular Weight346.35 g/mol
Exact Mass346.16
IUPAC NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESCc1n[nH]c(C)c1CCNC(=O)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C15H21F3N4O2/c1-9-12(10(2)21-20-9)3-6-19-13(23)11-4-7-22(8-5-11)14(24)15(16,17)18/h11H,3-8H2,1-2H3,(H,19,23)(H,20,21)
InChIKeyDLTNHBLUDANHRT-UHFFFAOYSA-N
XLogP1.49
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]cyclohexanecarboxamide
CID 110717086
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methoxycyclohexane-1-carboxamide
CID 112529992
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]azepane-4-carboxamide
CID 122568849
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide
CID 112529934
(3R)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 126445479
N-[2-(4-chlorophenyl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110344066
5-bromo-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 112529950
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]adamantane-1-carboxamide
CID 110717149
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110370264
ethyl 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]piperidine-4-carboxylate
CID 110685572
N-(2-piperidin-1-ylpropyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 112502367
1-tert-butyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]pyrrole-3-carboxamide
CID 90649604

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (CID 110717151) is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is Cc1n[nH]c(C)c1CCNC(=O)C1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The InChIKey is DLTNHBLUDANHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O2/c1-9-12(10(2)21-20-9)3-6-19-13(23)11-4-7-22(8-5-11)14(24)15(16,17)18/h11H,3-8H2,1-2H3,(H,19,23)(H,20,21).
What are the key properties of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide has a molecular weight of 346.35 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 110717151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).