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

C12H20ClN3 — CID 58990405

IUPAC1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methylpiperidine
SMILESCc1nn(C)c(Cl)c1CN1CCC(C)CC1
InChIInChI=1S/C12H20ClN3/c1-9-4-6-16(7-5-9)8-11-10(2)14-15(3)12(11)13/h9H,4-8H2,1-3H3
InChIKeyVFDNCBABHQCTNX-UHFFFAOYSA-N
MW241.77 g/mol
LogP2.61
Rot. Bonds2

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

1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methylpiperidine (PubChem CID 58990405) has the molecular formula C12H20ClN3 and a molecular weight of 241.77 g/mol. Its IUPAC name is 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methylpiperidine
PubChem CID58990405
Molecular FormulaC12H20ClN3
Molecular Weight241.77 g/mol
Exact Mass241.13
IUPAC Name1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methylpiperidine
SMILESCc1nn(C)c(Cl)c1CN1CCC(C)CC1
InChIInChI=1S/C12H20ClN3/c1-9-4-6-16(7-5-9)8-11-10(2)14-15(3)12(11)13/h9H,4-8H2,1-3H3
InChIKeyVFDNCBABHQCTNX-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
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]-4-methylpiperidine?
The IUPAC name of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methylpiperidine (CID 58990405) is 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methylpiperidine.
What is the SMILES notation for 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methylpiperidine?
The canonical SMILES for 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methylpiperidine is Cc1nn(C)c(Cl)c1CN1CCC(C)CC1.
What is the InChIKey of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methylpiperidine?
The InChIKey is VFDNCBABHQCTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3/c1-9-4-6-16(7-5-9)8-11-10(2)14-15(3)12(11)13/h9H,4-8H2,1-3H3.
What are the key properties of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methylpiperidine?
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methylpiperidine has a molecular weight of 241.77 g/mol, XLogP of 2.61, 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]-4-methylpiperidine is sourced from PubChem (CID 58990405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).