4-[[5-(1-ethylpyrazol-4-yl)imidazol-1-yl]methyl]piperidine

C14H21N5 — CID 103571159

IUPAC4-[[5-(1-ethylpyrazol-4-yl)imidazol-1-yl]methyl]piperidine
SMILESCCn1cc(-c2cncn2CC2CCNCC2)cn1
InChIInChI=1S/C14H21N5/c1-2-19-10-13(7-17-19)14-8-16-11-18(14)9-12-3-5-15-6-4-12/h7-8,10-12,15H,2-6,9H2,1H3
InChIKeyXMLYAIYFLKLLLD-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.77
Rot. Bonds4

About 4-[[5-(1-ethylpyrazol-4-yl)imidazol-1-yl]methyl]piperidine

4-[[5-(1-ethylpyrazol-4-yl)imidazol-1-yl]methyl]piperidine (PubChem CID 103571159) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 4-[[5-(1-ethylpyrazol-4-yl)imidazol-1-yl]methyl]piperidine.

Molecular Properties

Compound Name4-[[5-(1-ethylpyrazol-4-yl)imidazol-1-yl]methyl]piperidine
PubChem CID103571159
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name4-[[5-(1-ethylpyrazol-4-yl)imidazol-1-yl]methyl]piperidine
SMILESCCn1cc(-c2cncn2CC2CCNCC2)cn1
InChIInChI=1S/C14H21N5/c1-2-19-10-13(7-17-19)14-8-16-11-18(14)9-12-3-5-15-6-4-12/h7-8,10-12,15H,2-6,9H2,1H3
InChIKeyXMLYAIYFLKLLLD-UHFFFAOYSA-N
XLogP1.77
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(1-ethylpyrazol-4-yl)imidazol-1-yl]methyl]piperidine?
The IUPAC name of 4-[[5-(1-ethylpyrazol-4-yl)imidazol-1-yl]methyl]piperidine (CID 103571159) is 4-[[5-(1-ethylpyrazol-4-yl)imidazol-1-yl]methyl]piperidine.
What is the SMILES notation for 4-[[5-(1-ethylpyrazol-4-yl)imidazol-1-yl]methyl]piperidine?
The canonical SMILES for 4-[[5-(1-ethylpyrazol-4-yl)imidazol-1-yl]methyl]piperidine is CCn1cc(-c2cncn2CC2CCNCC2)cn1.
What is the InChIKey of 4-[[5-(1-ethylpyrazol-4-yl)imidazol-1-yl]methyl]piperidine?
The InChIKey is XMLYAIYFLKLLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-2-19-10-13(7-17-19)14-8-16-11-18(14)9-12-3-5-15-6-4-12/h7-8,10-12,15H,2-6,9H2,1H3.
What are the key properties of 4-[[5-(1-ethylpyrazol-4-yl)imidazol-1-yl]methyl]piperidine?
4-[[5-(1-ethylpyrazol-4-yl)imidazol-1-yl]methyl]piperidine has a molecular weight of 259.36 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(1-ethylpyrazol-4-yl)imidazol-1-yl]methyl]piperidine is sourced from PubChem (CID 103571159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).