2-methyl-6-[3-(1-methylpyrazol-4-yl)imidazol-4-yl]piperidine

C13H19N5 — CID 114717939

IUPAC2-methyl-6-[3-(1-methylpyrazol-4-yl)imidazol-4-yl]piperidine
SMILESCC1CCCC(c2cncn2-c2cnn(C)c2)N1
InChIInChI=1S/C13H19N5/c1-10-4-3-5-12(16-10)13-7-14-9-18(13)11-6-15-17(2)8-11/h6-10,12,16H,3-5H2,1-2H3
InChIKeyVRDCPVIERJGXGN-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.81
Rot. Bonds2

About 2-methyl-6-[3-(1-methylpyrazol-4-yl)imidazol-4-yl]piperidine

2-methyl-6-[3-(1-methylpyrazol-4-yl)imidazol-4-yl]piperidine (PubChem CID 114717939) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-methyl-6-[3-(1-methylpyrazol-4-yl)imidazol-4-yl]piperidine.

Molecular Properties

Compound Name2-methyl-6-[3-(1-methylpyrazol-4-yl)imidazol-4-yl]piperidine
PubChem CID114717939
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name2-methyl-6-[3-(1-methylpyrazol-4-yl)imidazol-4-yl]piperidine
SMILESCC1CCCC(c2cncn2-c2cnn(C)c2)N1
InChIInChI=1S/C13H19N5/c1-10-4-3-5-12(16-10)13-7-14-9-18(13)11-6-15-17(2)8-11/h6-10,12,16H,3-5H2,1-2H3
InChIKeyVRDCPVIERJGXGN-UHFFFAOYSA-N
XLogP1.81
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(3-chloro-5-fluorophenyl)imidazol-4-yl]-6-methylpiperidine
CID 107371278
2-[3-(1-benzothiophen-5-yl)imidazol-4-yl]-6-methylpiperidine
CID 114720722
2-[3-(4-fluoro-3-methoxyphenyl)imidazol-4-yl]-6-methylpiperidine
CID 114841259
2-methyl-6-[3-(2-methylcyclohexyl)imidazol-4-yl]piperidine
CID 114717087
2-[3-(4-bromo-2,3-dichlorophenyl)imidazol-4-yl]-6-methylpiperidine
CID 107795764
2-[3-(dicyclopropylmethyl)imidazol-4-yl]-6-methylpiperidine
CID 114719576
2-methyl-6-[3-(2-methylcyclopentyl)imidazol-4-yl]piperidine
CID 114720496
2-methyl-6-[3-(2-propylphenyl)imidazol-4-yl]piperidine
CID 114719236
1,4-dimethyl-2-[[5-(6-methylpiperidin-2-yl)imidazol-1-yl]methyl]piperazine
CID 114720756
2-methyl-6-[3-(3-methylbutyl)imidazol-4-yl]piperidine
CID 114716386
2-[3-(2,2-difluoroethyl)imidazol-4-yl]-6-methylpiperidine
CID 114721475
2-methyl-6-[3-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-4-yl]piperidine
CID 114719364

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[3-(1-methylpyrazol-4-yl)imidazol-4-yl]piperidine?
The IUPAC name of 2-methyl-6-[3-(1-methylpyrazol-4-yl)imidazol-4-yl]piperidine (CID 114717939) is 2-methyl-6-[3-(1-methylpyrazol-4-yl)imidazol-4-yl]piperidine.
What is the SMILES notation for 2-methyl-6-[3-(1-methylpyrazol-4-yl)imidazol-4-yl]piperidine?
The canonical SMILES for 2-methyl-6-[3-(1-methylpyrazol-4-yl)imidazol-4-yl]piperidine is CC1CCCC(c2cncn2-c2cnn(C)c2)N1.
What is the InChIKey of 2-methyl-6-[3-(1-methylpyrazol-4-yl)imidazol-4-yl]piperidine?
The InChIKey is VRDCPVIERJGXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-10-4-3-5-12(16-10)13-7-14-9-18(13)11-6-15-17(2)8-11/h6-10,12,16H,3-5H2,1-2H3.
What are the key properties of 2-methyl-6-[3-(1-methylpyrazol-4-yl)imidazol-4-yl]piperidine?
2-methyl-6-[3-(1-methylpyrazol-4-yl)imidazol-4-yl]piperidine has a molecular weight of 245.33 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[3-(1-methylpyrazol-4-yl)imidazol-4-yl]piperidine is sourced from PubChem (CID 114717939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).