(5-ethyl-1H-pyrazol-3-yl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone

C15H18F3N5O — CID 129479436

IUPAC(5-ethyl-1H-pyrazol-3-yl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
SMILESCCc1cc(C(=O)N2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)n[nH]1
InChIInChI=1S/C15H18F3N5O/c1-2-10-6-11(22-21-10)14(24)23-5-3-4-9(8-23)13-19-7-12(20-13)15(16,17)18/h6-7,9H,2-5,8H2,1H3,(H,19,20)(H,21,22)/t9-/m0/s1
InChIKeyAMTBNOZAXIHTBK-VIFPVBQESA-N
MW341.34 g/mol
LogP2.73
Rot. Bonds3

About (5-ethyl-1H-pyrazol-3-yl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone

(5-ethyl-1H-pyrazol-3-yl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 129479436) has the molecular formula C15H18F3N5O and a molecular weight of 341.34 g/mol. Its IUPAC name is (5-ethyl-1H-pyrazol-3-yl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-ethyl-1H-pyrazol-3-yl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
PubChem CID129479436
Molecular FormulaC15H18F3N5O
Molecular Weight341.34 g/mol
Exact Mass341.15
IUPAC Name(5-ethyl-1H-pyrazol-3-yl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
SMILESCCc1cc(C(=O)N2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)n[nH]1
InChIInChI=1S/C15H18F3N5O/c1-2-10-6-11(22-21-10)14(24)23-5-3-4-9(8-23)13-19-7-12(20-13)15(16,17)18/h6-7,9H,2-5,8H2,1H3,(H,19,20)(H,21,22)/t9-/m0/s1
InChIKeyAMTBNOZAXIHTBK-VIFPVBQESA-N
XLogP2.73
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (5-ethyl-1H-pyrazol-3-yl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-ethyl-1H-pyrazol-3-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492861
(3-ethyl-4-pyridinyl)-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 129346899
1,2-oxazol-3-yl-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 128996053
1,2-oxazol-3-yl-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 129479672
1,2-oxazol-3-yl-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 129479671
(5-methoxy-1-methylpyrazol-3-yl)-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 154739023
(4-fluoro-2-methylphenyl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 129479438
1-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]but-2-yn-1-one
CID 125142252
(3-aminopiperidin-1-yl)-(5-ethyl-1H-pyrazol-3-yl)methanone
CID 119381090
(3-methyl-2-pyridinyl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 129479723
(2-fluoro-4-methylphenyl)-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 128995235
(3S)-1-(5-ethyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylic acid
CID 119173853

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-1H-pyrazol-3-yl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (5-ethyl-1H-pyrazol-3-yl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone (CID 129479436) is (5-ethyl-1H-pyrazol-3-yl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-ethyl-1H-pyrazol-3-yl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (5-ethyl-1H-pyrazol-3-yl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone is CCc1cc(C(=O)N2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)n[nH]1.
What is the InChIKey of (5-ethyl-1H-pyrazol-3-yl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is AMTBNOZAXIHTBK-VIFPVBQESA-N. The full InChI is InChI=1S/C15H18F3N5O/c1-2-10-6-11(22-21-10)14(24)23-5-3-4-9(8-23)13-19-7-12(20-13)15(16,17)18/h6-7,9H,2-5,8H2,1H3,(H,19,20)(H,21,22)/t9-/m0/s1.
What are the key properties of (5-ethyl-1H-pyrazol-3-yl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone?
(5-ethyl-1H-pyrazol-3-yl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 341.34 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-1H-pyrazol-3-yl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 129479436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).