4-(3-benzyl-1-methylpyrazol-5-yl)piperidine

C16H21N3 — CID 18187656

IUPAC4-(3-benzyl-1-methylpyrazol-5-yl)piperidine
SMILESCn1nc(Cc2ccccc2)cc1C1CCNCC1
InChIInChI=1S/C16H21N3/c1-19-16(14-7-9-17-10-8-14)12-15(18-19)11-13-5-3-2-4-6-13/h2-6,12,14,17H,7-11H2,1H3
InChIKeyYPUAACSMIGNMJH-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.48
Rot. Bonds3

About 4-(3-benzyl-1-methylpyrazol-5-yl)piperidine

4-(3-benzyl-1-methylpyrazol-5-yl)piperidine (PubChem CID 18187656) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 4-(3-benzyl-1-methylpyrazol-5-yl)piperidine.

Molecular Properties

Compound Name4-(3-benzyl-1-methylpyrazol-5-yl)piperidine
PubChem CID18187656
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name4-(3-benzyl-1-methylpyrazol-5-yl)piperidine
SMILESCn1nc(Cc2ccccc2)cc1C1CCNCC1
InChIInChI=1S/C16H21N3/c1-19-16(14-7-9-17-10-8-14)12-15(18-19)11-13-5-3-2-4-6-13/h2-6,12,14,17H,7-11H2,1H3
InChIKeyYPUAACSMIGNMJH-UHFFFAOYSA-N
XLogP2.48
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3-benzyl-1-methylpyrazol-5-yl)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

4-(3-benzyl-1-propylpyrazol-5-yl)piperidine
CID 18187520
4-[1-ethyl-3-[(4-phenylmethoxyphenyl)methyl]pyrazol-5-yl]piperidine
CID 18187803
4-[3-[(4-fluorophenyl)methyl]-1-propylpyrazol-5-yl]piperidine
CID 18187705
4-[3-[(3-chlorophenyl)methyl]-1-ethylpyrazol-5-yl]piperidine
CID 18187707
4-(4-benzyl-1-methylpyrazol-5-yl)piperidine
CID 18686313
1-methyl-5-piperidin-4-ylpyrazol-3-amine
CID 83409077
3-benzyl-1,5-dimethylpyrazole
CID 13225476
4-(3-benzyl-1-ethylpyrazol-5-yl)-1-ethylpiperidine
CID 142020526
(5-cyclobutyl-1-methylpyrazol-3-yl)methanol
CID 164719502
4-(3-benzyl-1-methylpyrazol-5-yl)-1-methylpiperidine;(2R)-2-cyclohexyl-2-(3-phenylpyrrolidin-1-yl)acetic acid
CID 142020933
4-[3-[(4-chlorophenyl)methyl]-1-ethylpyrazol-5-yl]piperidine;4-[3-[(3,4-dichlorophenyl)methyl]-1-ethylpyrazol-5-yl]piperidine;3-[(1-ethyl-5-piperidin-4-ylpyrazol-3-yl)methyl]benzonitrile
CID 158687306
N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-4-phenylbutanamide
CID 71808571

Frequently Asked Questions

What is the IUPAC name of 4-(3-benzyl-1-methylpyrazol-5-yl)piperidine?
The IUPAC name of 4-(3-benzyl-1-methylpyrazol-5-yl)piperidine (CID 18187656) is 4-(3-benzyl-1-methylpyrazol-5-yl)piperidine.
What is the SMILES notation for 4-(3-benzyl-1-methylpyrazol-5-yl)piperidine?
The canonical SMILES for 4-(3-benzyl-1-methylpyrazol-5-yl)piperidine is Cn1nc(Cc2ccccc2)cc1C1CCNCC1.
What is the InChIKey of 4-(3-benzyl-1-methylpyrazol-5-yl)piperidine?
The InChIKey is YPUAACSMIGNMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-19-16(14-7-9-17-10-8-14)12-15(18-19)11-13-5-3-2-4-6-13/h2-6,12,14,17H,7-11H2,1H3.
What are the key properties of 4-(3-benzyl-1-methylpyrazol-5-yl)piperidine?
4-(3-benzyl-1-methylpyrazol-5-yl)piperidine has a molecular weight of 255.37 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-benzyl-1-methylpyrazol-5-yl)piperidine is sourced from PubChem (CID 18187656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).