1-[4-(chloromethyl)-1,3-dimethylpyrazol-5-yl]-2-methylpiperidine

C12H20ClN3 — CID 43122170

IUPAC1-[4-(chloromethyl)-1,3-dimethylpyrazol-5-yl]-2-methylpiperidine
SMILESCc1nn(C)c(N2CCCCC2C)c1CCl
InChIInChI=1S/C12H20ClN3/c1-9-6-4-5-7-16(9)12-11(8-13)10(2)14-15(12)3/h9H,4-8H2,1-3H3
InChIKeyMZDZROZLJAJAIL-UHFFFAOYSA-N
MW241.77 g/mol
LogP2.85
Rot. Bonds2

About 1-[4-(chloromethyl)-1,3-dimethylpyrazol-5-yl]-2-methylpiperidine

1-[4-(chloromethyl)-1,3-dimethylpyrazol-5-yl]-2-methylpiperidine (PubChem CID 43122170) has the molecular formula C12H20ClN3 and a molecular weight of 241.77 g/mol. Its IUPAC name is 1-[4-(chloromethyl)-1,3-dimethylpyrazol-5-yl]-2-methylpiperidine.

Molecular Properties

Compound Name1-[4-(chloromethyl)-1,3-dimethylpyrazol-5-yl]-2-methylpiperidine
PubChem CID43122170
Molecular FormulaC12H20ClN3
Molecular Weight241.77 g/mol
Exact Mass241.13
IUPAC Name1-[4-(chloromethyl)-1,3-dimethylpyrazol-5-yl]-2-methylpiperidine
SMILESCc1nn(C)c(N2CCCCC2C)c1CCl
InChIInChI=1S/C12H20ClN3/c1-9-6-4-5-7-16(9)12-11(8-13)10(2)14-15(12)3/h9H,4-8H2,1-3H3
InChIKeyMZDZROZLJAJAIL-UHFFFAOYSA-N
XLogP2.85
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.77
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(chloromethyl)-1,3-dimethylpyrazol-5-yl]-2-methylpiperidine?
The IUPAC name of 1-[4-(chloromethyl)-1,3-dimethylpyrazol-5-yl]-2-methylpiperidine (CID 43122170) is 1-[4-(chloromethyl)-1,3-dimethylpyrazol-5-yl]-2-methylpiperidine.
What is the SMILES notation for 1-[4-(chloromethyl)-1,3-dimethylpyrazol-5-yl]-2-methylpiperidine?
The canonical SMILES for 1-[4-(chloromethyl)-1,3-dimethylpyrazol-5-yl]-2-methylpiperidine is Cc1nn(C)c(N2CCCCC2C)c1CCl.
What is the InChIKey of 1-[4-(chloromethyl)-1,3-dimethylpyrazol-5-yl]-2-methylpiperidine?
The InChIKey is MZDZROZLJAJAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3/c1-9-6-4-5-7-16(9)12-11(8-13)10(2)14-15(12)3/h9H,4-8H2,1-3H3.
What are the key properties of 1-[4-(chloromethyl)-1,3-dimethylpyrazol-5-yl]-2-methylpiperidine?
1-[4-(chloromethyl)-1,3-dimethylpyrazol-5-yl]-2-methylpiperidine has a molecular weight of 241.77 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(chloromethyl)-1,3-dimethylpyrazol-5-yl]-2-methylpiperidine is sourced from PubChem (CID 43122170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).