5-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-methylpiperidine

C11H18ClN3 — CID 114662360

IUPAC5-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-methylpiperidine
SMILESCC1CCC(Cc2c(Cl)cnn2C)CN1
InChIInChI=1S/C11H18ClN3/c1-8-3-4-9(6-13-8)5-11-10(12)7-14-15(11)2/h7-9,13H,3-6H2,1-2H3
InChIKeyPIAXEVSDKBQECP-UHFFFAOYSA-N
MW227.74 g/mol
LogP2.00
Rot. Bonds2

About 5-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-methylpiperidine

5-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-methylpiperidine (PubChem CID 114662360) has the molecular formula C11H18ClN3 and a molecular weight of 227.74 g/mol. Its IUPAC name is 5-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-methylpiperidine.

Molecular Properties

Compound Name5-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-methylpiperidine
PubChem CID114662360
Molecular FormulaC11H18ClN3
Molecular Weight227.74 g/mol
Exact Mass227.12
IUPAC Name5-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-methylpiperidine
SMILESCC1CCC(Cc2c(Cl)cnn2C)CN1
InChIInChI=1S/C11H18ClN3/c1-8-3-4-9(6-13-8)5-11-10(12)7-14-15(11)2/h7-9,13H,3-6H2,1-2H3
InChIKeyPIAXEVSDKBQECP-UHFFFAOYSA-N
XLogP2.00
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-methylpiperidine 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

2-methyl-5-[(2-methylpyrazol-3-yl)methyl]piperidine
CID 104823542
5-[(1-ethyl-4-methoxypyrazol-5-yl)methyl]-2-methylpiperidine
CID 114662369
5-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpiperidine
CID 106780163
2-[(6-methylpiperidin-3-yl)methyl]pyrazine
CID 104823559
4-chloro-5-(methoxymethyl)-1-methylpyrazole
CID 19779911
(3aR,6aS)-5-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120846045
4-bromo-5-(cyclopentylmethyl)-1-methylpyrazole
CID 175049382
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]cyclobutanamine
CID 130693971
3-[(4-chloro-1-methylpyrazol-5-yl)methyl]-3,9-diazabicyclo[3.3.1]nonane;hydrochloride
CID 120845647
5-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2-methylpiperidine
CID 106780199
5-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylpiperidine
CID 106779365
1-methyl-4-phenyl-5-(pyrrolidin-3-ylmethyl)pyrazole
CID 115044405

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-methylpiperidine?
The IUPAC name of 5-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-methylpiperidine (CID 114662360) is 5-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-methylpiperidine.
What is the SMILES notation for 5-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-methylpiperidine?
The canonical SMILES for 5-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-methylpiperidine is CC1CCC(Cc2c(Cl)cnn2C)CN1.
What is the InChIKey of 5-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-methylpiperidine?
The InChIKey is PIAXEVSDKBQECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3/c1-8-3-4-9(6-13-8)5-11-10(12)7-14-15(11)2/h7-9,13H,3-6H2,1-2H3.
What are the key properties of 5-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-methylpiperidine?
5-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-methylpiperidine has a molecular weight of 227.74 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-methylpiperidine is sourced from PubChem (CID 114662360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).