1-[1-[5-(1-ethylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine

C16H25N5 — CID 46980209

IUPAC1-[1-[5-(1-ethylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine
SMILESCCn1cc(-c2cncn2CC(C)N2CCCCC2)cn1
InChIInChI=1S/C16H25N5/c1-3-21-12-15(9-18-21)16-10-17-13-20(16)11-14(2)19-7-5-4-6-8-19/h9-10,12-14H,3-8,11H2,1-2H3
InChIKeyARSBDIRQYDVSCL-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.64
Rot. Bonds5

About 1-[1-[5-(1-ethylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine

1-[1-[5-(1-ethylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine (PubChem CID 46980209) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-[1-[5-(1-ethylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine.

Molecular Properties

Compound Name1-[1-[5-(1-ethylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine
PubChem CID46980209
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name1-[1-[5-(1-ethylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine
SMILESCCn1cc(-c2cncn2CC(C)N2CCCCC2)cn1
InChIInChI=1S/C16H25N5/c1-3-21-12-15(9-18-21)16-10-17-13-20(16)11-14(2)19-7-5-4-6-8-19/h9-10,12-14H,3-8,11H2,1-2H3
InChIKeyARSBDIRQYDVSCL-UHFFFAOYSA-N
XLogP2.64
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-(1-ethylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine?
The IUPAC name of 1-[1-[5-(1-ethylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine (CID 46980209) is 1-[1-[5-(1-ethylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine.
What is the SMILES notation for 1-[1-[5-(1-ethylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine?
The canonical SMILES for 1-[1-[5-(1-ethylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine is CCn1cc(-c2cncn2CC(C)N2CCCCC2)cn1.
What is the InChIKey of 1-[1-[5-(1-ethylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine?
The InChIKey is ARSBDIRQYDVSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-3-21-12-15(9-18-21)16-10-17-13-20(16)11-14(2)19-7-5-4-6-8-19/h9-10,12-14H,3-8,11H2,1-2H3.
What are the key properties of 1-[1-[5-(1-ethylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine?
1-[1-[5-(1-ethylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine has a molecular weight of 287.41 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-(1-ethylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine is sourced from PubChem (CID 46980209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).