4-(3,4-dimethylpyrazol-1-yl)-1-methylpiperidine;ethane

C13H25N3 — CID 177246443

IUPAC4-(3,4-dimethylpyrazol-1-yl)-1-methylpiperidine;ethane
SMILESCC.Cc1cn(C2CCN(C)CC2)nc1C
InChIInChI=1S/C11H19N3.C2H6/c1-9-8-14(12-10(9)2)11-4-6-13(3)7-5-11;1-2/h8,11H,4-7H2,1-3H3;1-2H3
InChIKeyXEXRVFSWEUKLLU-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.79
Rot. Bonds1

About 4-(3,4-dimethylpyrazol-1-yl)-1-methylpiperidine;ethane

4-(3,4-dimethylpyrazol-1-yl)-1-methylpiperidine;ethane (PubChem CID 177246443) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 4-(3,4-dimethylpyrazol-1-yl)-1-methylpiperidine;ethane.

Molecular Properties

Compound Name4-(3,4-dimethylpyrazol-1-yl)-1-methylpiperidine;ethane
PubChem CID177246443
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name4-(3,4-dimethylpyrazol-1-yl)-1-methylpiperidine;ethane
SMILESCC.Cc1cn(C2CCN(C)CC2)nc1C
InChIInChI=1S/C11H19N3.C2H6/c1-9-8-14(12-10(9)2)11-4-6-13(3)7-5-11;1-2/h8,11H,4-7H2,1-3H3;1-2H3
InChIKeyXEXRVFSWEUKLLU-UHFFFAOYSA-N
XLogP2.79
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-dimethylpyrazol-1-yl)piperidine-1-carbaldehyde;ethane;N-methylcyclopropanamine
CID 145134343
1-(azetidin-3-yl)-3,4-dimethylpyrazole
CID 168889402
1-cyclopropyl-3-methoxy-4-methylpyrazole;ethane
CID 172605487
5-methyl-2-(1-methylpiperidin-4-yl)indazole
CID 164997785
1-cyclopropyl-4-methoxy-3-methylpyrazole
CID 170591721
4-(4-bromopyrazol-1-yl)-1-methylpiperidine
CID 59599418
1-(1-methylpiperidin-4-yl)pyrazole-4-thiol
CID 149139949
3-bromo-1-cyclopentyl-4-methylpyrazole
CID 130138859
ethyl 1-(1-methylpiperidin-4-yl)triazole-4-carboxylate
CID 58493124
4-(3-ethylpyrazol-1-yl)-1-methylpiperidine
CID 170573689
1-cyclopentyl-4-methylpyrazol-3-amine;hydrochloride
CID 156589572
4-(4-bromo-3-methylpyrazol-1-yl)-1,2,2-trimethylpiperidine
CID 168945368

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylpyrazol-1-yl)-1-methylpiperidine;ethane?
The IUPAC name of 4-(3,4-dimethylpyrazol-1-yl)-1-methylpiperidine;ethane (CID 177246443) is 4-(3,4-dimethylpyrazol-1-yl)-1-methylpiperidine;ethane.
What is the SMILES notation for 4-(3,4-dimethylpyrazol-1-yl)-1-methylpiperidine;ethane?
The canonical SMILES for 4-(3,4-dimethylpyrazol-1-yl)-1-methylpiperidine;ethane is CC.Cc1cn(C2CCN(C)CC2)nc1C.
What is the InChIKey of 4-(3,4-dimethylpyrazol-1-yl)-1-methylpiperidine;ethane?
The InChIKey is XEXRVFSWEUKLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3.C2H6/c1-9-8-14(12-10(9)2)11-4-6-13(3)7-5-11;1-2/h8,11H,4-7H2,1-3H3;1-2H3.
What are the key properties of 4-(3,4-dimethylpyrazol-1-yl)-1-methylpiperidine;ethane?
4-(3,4-dimethylpyrazol-1-yl)-1-methylpiperidine;ethane has a molecular weight of 223.36 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylpyrazol-1-yl)-1-methylpiperidine;ethane is sourced from PubChem (CID 177246443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).