[1-[[(3R)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol

C15H23ClN6O — CID 28906323

IUPAC[1-[[(3R)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol
SMILESCc1nn(C)c(Cl)c1CN1CCC[C@@H](Cn2cc(CO)nn2)C1
InChIInChI=1S/C15H23ClN6O/c1-11-14(15(16)20(2)18-11)9-21-5-3-4-12(6-21)7-22-8-13(10-23)17-19-22/h8,12,23H,3-7,9-10H2,1-2H3/t12-/m1/s1
InChIKeyKIXAJHMCQLYHSJ-GFCCVEGCSA-N
MW338.84 g/mol
LogP1.38
Rot. Bonds5

About [1-[[(3R)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol

[1-[[(3R)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol (PubChem CID 28906323) has the molecular formula C15H23ClN6O and a molecular weight of 338.84 g/mol. Its IUPAC name is [1-[[(3R)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[[(3R)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol
PubChem CID28906323
Molecular FormulaC15H23ClN6O
Molecular Weight338.84 g/mol
Exact Mass338.16
IUPAC Name[1-[[(3R)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol
SMILESCc1nn(C)c(Cl)c1CN1CCC[C@@H](Cn2cc(CO)nn2)C1
InChIInChI=1S/C15H23ClN6O/c1-11-14(15(16)20(2)18-11)9-21-5-3-4-12(6-21)7-22-8-13(10-23)17-19-22/h8,12,23H,3-7,9-10H2,1-2H3/t12-/m1/s1
InChIKeyKIXAJHMCQLYHSJ-GFCCVEGCSA-N
XLogP1.38
TPSA72.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]ethanol
CID 62356478
[1-[[(3S)-1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol
CID 28737834
[1-[[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol
CID 45209928
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 54920320
5-chloro-4-[(3-ethylpyrrolidin-1-yl)methyl]-1,3-dimethylpyrazole
CID 115688533
2-[1-[(1-butylpiperidin-3-yl)methyl]triazol-4-yl]ethanol
CID 46991908
[1-[[1-(6-chloropyridazin-3-yl)piperidin-3-yl]methyl]triazol-4-yl]methanol
CID 45186762
5-chloro-1,3-dimethyl-4-[(3-methylpyrrolidin-1-yl)methyl]pyrazole
CID 61224422
(3S)-1-[(4-fluorophenyl)methyl]-3-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidine
CID 31135460
3-[(3S)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-[(3,4-difluorophenyl)methyl]propanamide
CID 25379410
tert-butyl 3-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidine-1-carboxylate
CID 121208608
1-[(3S)-3-[[4-(hydroxymethyl)triazol-1-yl]methyl]pyrrolidin-1-yl]ethanone
CID 129495741

Frequently Asked Questions

What is the IUPAC name of [1-[[(3R)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol?
The IUPAC name of [1-[[(3R)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol (CID 28906323) is [1-[[(3R)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[[(3R)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[[(3R)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol is Cc1nn(C)c(Cl)c1CN1CCC[C@@H](Cn2cc(CO)nn2)C1.
What is the InChIKey of [1-[[(3R)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol?
The InChIKey is KIXAJHMCQLYHSJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H23ClN6O/c1-11-14(15(16)20(2)18-11)9-21-5-3-4-12(6-21)7-22-8-13(10-23)17-19-22/h8,12,23H,3-7,9-10H2,1-2H3/t12-/m1/s1.
What are the key properties of [1-[[(3R)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol?
[1-[[(3R)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol has a molecular weight of 338.84 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(3R)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol is sourced from PubChem (CID 28906323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).