[5-[(3R)-1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methanol

C14H21ClN6O — CID 124758048

IUPAC[5-[(3R)-1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methanol
SMILESCn1c(CO)nnc1[C@@H]1CCCN(CCn2cc(Cl)cn2)C1
InChIInChI=1S/C14H21ClN6O/c1-19-13(10-22)17-18-14(19)11-3-2-4-20(8-11)5-6-21-9-12(15)7-16-21/h7,9,11,22H,2-6,8,10H2,1H3/t11-/m1/s1
InChIKeyXMZIGSIKPBRMBB-LLVKDONJSA-N
MW324.82 g/mol
LogP1.04
Rot. Bonds5

About [5-[(3R)-1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methanol

[5-[(3R)-1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methanol (PubChem CID 124758048) has the molecular formula C14H21ClN6O and a molecular weight of 324.82 g/mol. Its IUPAC name is [5-[(3R)-1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-[(3R)-1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methanol
PubChem CID124758048
Molecular FormulaC14H21ClN6O
Molecular Weight324.82 g/mol
Exact Mass324.15
IUPAC Name[5-[(3R)-1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methanol
SMILESCn1c(CO)nnc1[C@@H]1CCCN(CCn2cc(Cl)cn2)C1
InChIInChI=1S/C14H21ClN6O/c1-19-13(10-22)17-18-14(19)11-3-2-4-20(8-11)5-6-21-9-12(15)7-16-21/h7,9,11,22H,2-6,8,10H2,1H3/t11-/m1/s1
InChIKeyXMZIGSIKPBRMBB-LLVKDONJSA-N
XLogP1.04
TPSA72.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.82
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [5-[(3R)-1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methanol 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

3-[(3S)-1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 124750094
(3R)-1-[2-(4-chloropyrazol-1-yl)ethyl]-3-(1-propan-2-ylimidazol-2-yl)piperidine
CID 97201985
[4-methyl-5-[1-[(5-methylpyrazin-2-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methanol
CID 134702676
4-[(3S)-1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]benzoic acid
CID 97206519
3-[2-[(3S)-3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]ethyl]-1H-imidazol-2-one
CID 125176070
[5-[(3S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methanol
CID 99949289
(5-cyclooctyl-4-methyl-1,2,4-triazol-3-yl)methanol
CID 115396998
(3S)-1-[(4-chlorophenyl)methyl]-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
CID 95867076
1-[(3R)-3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2-methylsulfanylethanone
CID 99961915
[4-methyl-5-[(3R)-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methanol
CID 124756495
5-[[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-2-methylbenzonitrile
CID 146143024
(3R)-1-[(4-methylphenyl)methyl]-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
CID 95874323

Frequently Asked Questions

What is the IUPAC name of [5-[(3R)-1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-[(3R)-1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methanol (CID 124758048) is [5-[(3R)-1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-[(3R)-1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-[(3R)-1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methanol is Cn1c(CO)nnc1[C@@H]1CCCN(CCn2cc(Cl)cn2)C1.
What is the InChIKey of [5-[(3R)-1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methanol?
The InChIKey is XMZIGSIKPBRMBB-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21ClN6O/c1-19-13(10-22)17-18-14(19)11-3-2-4-20(8-11)5-6-21-9-12(15)7-16-21/h7,9,11,22H,2-6,8,10H2,1H3/t11-/m1/s1.
What are the key properties of [5-[(3R)-1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methanol?
[5-[(3R)-1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methanol has a molecular weight of 324.82 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3R)-1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 124758048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).