3-[2-[5-(1-propylpyrazol-4-yl)imidazol-1-yl]ethyl]piperidine

C16H25N5 — CID 103573754

IUPAC3-[2-[5-(1-propylpyrazol-4-yl)imidazol-1-yl]ethyl]piperidine
SMILESCCCn1cc(-c2cncn2CCC2CCCNC2)cn1
InChIInChI=1S/C16H25N5/c1-2-7-21-12-15(10-19-21)16-11-18-13-20(16)8-5-14-4-3-6-17-9-14/h10-14,17H,2-9H2,1H3
InChIKeyGBSLZQVJLWEBQT-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.55
Rot. Bonds6

About 3-[2-[5-(1-propylpyrazol-4-yl)imidazol-1-yl]ethyl]piperidine

3-[2-[5-(1-propylpyrazol-4-yl)imidazol-1-yl]ethyl]piperidine (PubChem CID 103573754) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is 3-[2-[5-(1-propylpyrazol-4-yl)imidazol-1-yl]ethyl]piperidine.

Molecular Properties

Compound Name3-[2-[5-(1-propylpyrazol-4-yl)imidazol-1-yl]ethyl]piperidine
PubChem CID103573754
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name3-[2-[5-(1-propylpyrazol-4-yl)imidazol-1-yl]ethyl]piperidine
SMILESCCCn1cc(-c2cncn2CCC2CCCNC2)cn1
InChIInChI=1S/C16H25N5/c1-2-7-21-12-15(10-19-21)16-11-18-13-20(16)8-5-14-4-3-6-17-9-14/h10-14,17H,2-9H2,1H3
InChIKeyGBSLZQVJLWEBQT-UHFFFAOYSA-N
XLogP2.55
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[5-(1-propylpyrazol-4-yl)imidazol-1-yl]ethyl]piperidine?
The IUPAC name of 3-[2-[5-(1-propylpyrazol-4-yl)imidazol-1-yl]ethyl]piperidine (CID 103573754) is 3-[2-[5-(1-propylpyrazol-4-yl)imidazol-1-yl]ethyl]piperidine.
What is the SMILES notation for 3-[2-[5-(1-propylpyrazol-4-yl)imidazol-1-yl]ethyl]piperidine?
The canonical SMILES for 3-[2-[5-(1-propylpyrazol-4-yl)imidazol-1-yl]ethyl]piperidine is CCCn1cc(-c2cncn2CCC2CCCNC2)cn1.
What is the InChIKey of 3-[2-[5-(1-propylpyrazol-4-yl)imidazol-1-yl]ethyl]piperidine?
The InChIKey is GBSLZQVJLWEBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-2-7-21-12-15(10-19-21)16-11-18-13-20(16)8-5-14-4-3-6-17-9-14/h10-14,17H,2-9H2,1H3.
What are the key properties of 3-[2-[5-(1-propylpyrazol-4-yl)imidazol-1-yl]ethyl]piperidine?
3-[2-[5-(1-propylpyrazol-4-yl)imidazol-1-yl]ethyl]piperidine has a molecular weight of 287.41 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[5-(1-propylpyrazol-4-yl)imidazol-1-yl]ethyl]piperidine is sourced from PubChem (CID 103573754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).