1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,3,5-trimethylpiperidine

C14H24ClN3 — CID 114592925

IUPAC1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,3,5-trimethylpiperidine
SMILESCc1nn(C)c(Cl)c1CN1CC(C)CC(C)C1C
InChIInChI=1S/C14H24ClN3/c1-9-6-10(2)12(4)18(7-9)8-13-11(3)16-17(5)14(13)15/h9-10,12H,6-8H2,1-5H3
InChIKeyNXCHMSVOPDTDQH-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.25
Rot. Bonds2

About 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,3,5-trimethylpiperidine

1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,3,5-trimethylpiperidine (PubChem CID 114592925) has the molecular formula C14H24ClN3 and a molecular weight of 269.82 g/mol. Its IUPAC name is 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,3,5-trimethylpiperidine.

Molecular Properties

Compound Name1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,3,5-trimethylpiperidine
PubChem CID114592925
Molecular FormulaC14H24ClN3
Molecular Weight269.82 g/mol
Exact Mass269.17
IUPAC Name1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,3,5-trimethylpiperidine
SMILESCc1nn(C)c(Cl)c1CN1CC(C)CC(C)C1C
InChIInChI=1S/C14H24ClN3/c1-9-6-10(2)12(4)18(7-9)8-13-11(3)16-17(5)14(13)15/h9-10,12H,6-8H2,1-5H3
InChIKeyNXCHMSVOPDTDQH-UHFFFAOYSA-N
XLogP3.25
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,3,5-trimethylpiperidine?
The IUPAC name of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,3,5-trimethylpiperidine (CID 114592925) is 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,3,5-trimethylpiperidine.
What is the SMILES notation for 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,3,5-trimethylpiperidine?
The canonical SMILES for 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,3,5-trimethylpiperidine is Cc1nn(C)c(Cl)c1CN1CC(C)CC(C)C1C.
What is the InChIKey of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,3,5-trimethylpiperidine?
The InChIKey is NXCHMSVOPDTDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3/c1-9-6-10(2)12(4)18(7-9)8-13-11(3)16-17(5)14(13)15/h9-10,12H,6-8H2,1-5H3.
What are the key properties of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,3,5-trimethylpiperidine?
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,3,5-trimethylpiperidine has a molecular weight of 269.82 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,3,5-trimethylpiperidine is sourced from PubChem (CID 114592925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).