(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine

C15H24N6 — CID 95750520

IUPAC(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine
SMILESCc1cc(C)n(C[C@H]2CCCCN2CCn2cncn2)n1
InChIInChI=1S/C15H24N6/c1-13-9-14(2)21(18-13)10-15-5-3-4-6-19(15)7-8-20-12-16-11-17-20/h9,11-12,15H,3-8,10H2,1-2H3/t15-/m1/s1
InChIKeyBREUYJGTAAVSPR-OAHLLOKOSA-N
MW288.40 g/mol
LogP1.65
Rot. Bonds5

About (2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine

(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine (PubChem CID 95750520) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is (2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine.

Molecular Properties

Compound Name(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine
PubChem CID95750520
Molecular FormulaC15H24N6
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC Name(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine
SMILESCc1cc(C)n(C[C@H]2CCCCN2CCn2cncn2)n1
InChIInChI=1S/C15H24N6/c1-13-9-14(2)21(18-13)10-15-5-3-4-6-19(15)7-8-20-12-16-11-17-20/h9,11-12,15H,3-8,10H2,1-2H3/t15-/m1/s1
InChIKeyBREUYJGTAAVSPR-OAHLLOKOSA-N
XLogP1.65
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine 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

3,5-dimethyl-1-[[(2R)-1-propylpyrrolidin-2-yl]methyl]pyrazole
CID 95341471
1-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3,5-dimethylpyrazole
CID 56780552
1-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3,5-dimethylpyrazole
CID 95609700
2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-5-methylpyrazine
CID 95750517
3-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N,N-dimethylpropane-1-sulfonamide
CID 95340423
N-methyl-1-[1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-2-yl]methanamine
CID 119928396
3,5-dimethyl-1-[[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyrazole
CID 56780569
3,5-dimethyl-1-[[(2S)-1-prop-2-enylpyrrolidin-2-yl]methyl]pyrazole
CID 95341473
3-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propane-1-sulfonamide
CID 95344084
1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-methylpropan-2-ol
CID 56780852
3-[2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 95609927
3,5-dimethyl-1-[[(2R)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]methyl]pyrazole
CID 95609731

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine?
The IUPAC name of (2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine (CID 95750520) is (2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine.
What is the SMILES notation for (2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine?
The canonical SMILES for (2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine is Cc1cc(C)n(C[C@H]2CCCCN2CCn2cncn2)n1.
What is the InChIKey of (2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine?
The InChIKey is BREUYJGTAAVSPR-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H24N6/c1-13-9-14(2)21(18-13)10-15-5-3-4-6-19(15)7-8-20-12-16-11-17-20/h9,11-12,15H,3-8,10H2,1-2H3/t15-/m1/s1.
What are the key properties of (2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine?
(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine has a molecular weight of 288.40 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine is sourced from PubChem (CID 95750520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).