1-[1-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-4-yl]triazol-4-yl]ethanol;2,2,2-trifluoroacetic acid

C19H29F3N6O3 — CID 154888515

IUPAC1-[1-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-4-yl]triazol-4-yl]ethanol;2,2,2-trifluoroacetic acid
SMILESCC(C)Cc1cc(CN2CCC(n3cc(C(C)O)nn3)CC2)[nH]n1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H28N6O.C2HF3O2/c1-12(2)8-14-9-15(19-18-14)10-22-6-4-16(5-7-22)23-11-17(13(3)24)20-21-23;3-2(4,5)1(6)7/h9,11-13,16,24H,4-8,10H2,1-3H3,(H,18,19);(H,6,7)
InChIKeyHEKOTFOCPFXMFS-UHFFFAOYSA-N
MW446.47 g/mol
LogP2.72
Rot. Bonds6

About 1-[1-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-4-yl]triazol-4-yl]ethanol;2,2,2-trifluoroacetic acid

1-[1-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-4-yl]triazol-4-yl]ethanol;2,2,2-trifluoroacetic acid (PubChem CID 154888515) has the molecular formula C19H29F3N6O3 and a molecular weight of 446.47 g/mol. Its IUPAC name is 1-[1-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-4-yl]triazol-4-yl]ethanol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-[1-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-4-yl]triazol-4-yl]ethanol;2,2,2-trifluoroacetic acid
PubChem CID154888515
Molecular FormulaC19H29F3N6O3
Molecular Weight446.47 g/mol
Exact Mass446.23
IUPAC Name1-[1-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-4-yl]triazol-4-yl]ethanol;2,2,2-trifluoroacetic acid
SMILESCC(C)Cc1cc(CN2CCC(n3cc(C(C)O)nn3)CC2)[nH]n1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H28N6O.C2HF3O2/c1-12(2)8-14-9-15(19-18-14)10-22-6-4-16(5-7-22)23-11-17(13(3)24)20-21-23;3-2(4,5)1(6)7/h9,11-13,16,24H,4-8,10H2,1-3H3,(H,18,19);(H,6,7)
InChIKeyHEKOTFOCPFXMFS-UHFFFAOYSA-N
XLogP2.72
TPSA120.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.47
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[1-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-4-yl]triazol-4-yl]ethanol;2,2,2-trifluoroacetic acid 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

1-[1-[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]triazol-4-yl]ethanol;2,2,2-trifluoroacetic acid
CID 154885530
4-[4-(4-methylphenyl)triazol-1-yl]-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine;2,2,2-trifluoroacetic acid
CID 154885616
1-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-(4-thiophen-3-yltriazol-1-yl)piperidine;2,2,2-trifluoroacetic acid
CID 154889188
1-[1-[1-(3-methylbutyl)piperidin-4-yl]triazol-4-yl]ethanol
CID 45181874
3-[(3S,4R)-4-(dimethylamino)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-3-yl]propanoic acid
CID 133117436
3-methyl-N-[2-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]butanamide
CID 42596631
1-[1-[1-[(2E,4E)-5-(4-fluorophenyl)penta-2,4-dienyl]piperidin-4-yl]triazol-4-yl]ethanol
CID 45248901
[(3R)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 42595073
4-(4-cyclopropyltriazol-1-yl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidine;2,2,2-trifluoroacetic acid
CID 154887955
1-[1-[[1-[(5-ethylthiophen-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol;2,2,2-trifluoroacetic acid
CID 154886114
5-[[4-[4-(4-fluorophenyl)triazol-1-yl]piperidin-1-yl]methyl]-2-methylpyrimidine;2,2,2-trifluoroacetic acid
CID 154891013
1-[1-[1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]triazol-4-yl]ethanol
CID 45240490

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-4-yl]triazol-4-yl]ethanol;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-[1-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-4-yl]triazol-4-yl]ethanol;2,2,2-trifluoroacetic acid (CID 154888515) is 1-[1-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-4-yl]triazol-4-yl]ethanol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-[1-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-4-yl]triazol-4-yl]ethanol;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-[1-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-4-yl]triazol-4-yl]ethanol;2,2,2-trifluoroacetic acid is CC(C)Cc1cc(CN2CCC(n3cc(C(C)O)nn3)CC2)[nH]n1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-[1-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-4-yl]triazol-4-yl]ethanol;2,2,2-trifluoroacetic acid?
The InChIKey is HEKOTFOCPFXMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O.C2HF3O2/c1-12(2)8-14-9-15(19-18-14)10-22-6-4-16(5-7-22)23-11-17(13(3)24)20-21-23;3-2(4,5)1(6)7/h9,11-13,16,24H,4-8,10H2,1-3H3,(H,18,19);(H,6,7).
What are the key properties of 1-[1-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-4-yl]triazol-4-yl]ethanol;2,2,2-trifluoroacetic acid?
1-[1-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-4-yl]triazol-4-yl]ethanol;2,2,2-trifluoroacetic acid has a molecular weight of 446.47 g/mol, XLogP of 2.72, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-4-yl]triazol-4-yl]ethanol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154888515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).