[1-[[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol

C19H24N6O — CID 45209928

IUPAC[1-[[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol
SMILESOCc1cn(CC2CCCN(Cc3ccc(-n4cccn4)cc3)C2)nn1
InChIInChI=1S/C19H24N6O/c26-15-18-14-24(22-21-18)13-17-3-1-9-23(12-17)11-16-4-6-19(7-5-16)25-10-2-8-20-25/h2,4-8,10,14,17,26H,1,3,9,11-13,15H2
InChIKeyFMEWFJCLIJMBID-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.87
Rot. Bonds6

About [1-[[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol

[1-[[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol (PubChem CID 45209928) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is [1-[[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol
PubChem CID45209928
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name[1-[[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol
SMILESOCc1cn(CC2CCCN(Cc3ccc(-n4cccn4)cc3)C2)nn1
InChIInChI=1S/C19H24N6O/c26-15-18-14-24(22-21-18)13-17-3-1-9-23(12-17)11-16-4-6-19(7-5-16)25-10-2-8-20-25/h2,4-8,10,14,17,26H,1,3,9,11-13,15H2
InChIKeyFMEWFJCLIJMBID-UHFFFAOYSA-N
XLogP1.87
TPSA72.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[1-[[(3S)-1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol
CID 28737834
(3R)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol
CID 63365329
(3S)-1-[(4-fluorophenyl)methyl]-3-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidine
CID 31135460
[1-[[(3R)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol
CID 28906323
3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-ol
CID 114681410
1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-3-carbaldehyde
CID 62660628
3-phenyl-N-[[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methyl]propanamide
CID 45208830
1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119917477
[1-[[1-(6-chloropyridazin-3-yl)piperidin-3-yl]methyl]triazol-4-yl]methanol
CID 45186762
[1-[[(3S)-1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]piperidin-3-yl]methyl]triazol-4-yl]methanamine
CID 31075020
2-[(2R)-1-cyclohexyl-4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanol
CID 51635497
[1-[[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanamine
CID 45243962

Frequently Asked Questions

What is the IUPAC name of [1-[[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol?
The IUPAC name of [1-[[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol (CID 45209928) is [1-[[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol is OCc1cn(CC2CCCN(Cc3ccc(-n4cccn4)cc3)C2)nn1.
What is the InChIKey of [1-[[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol?
The InChIKey is FMEWFJCLIJMBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c26-15-18-14-24(22-21-18)13-17-3-1-9-23(12-17)11-16-4-6-19(7-5-16)25-10-2-8-20-25/h2,4-8,10,14,17,26H,1,3,9,11-13,15H2.
What are the key properties of [1-[[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol?
[1-[[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol has a molecular weight of 352.44 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol is sourced from PubChem (CID 45209928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).