4-[3-(1-benzylimidazol-4-yl)-1-hydroxypyrazol-4-yl]piperidine

C18H21N5O — CID 71818466

IUPAC4-[3-(1-benzylimidazol-4-yl)-1-hydroxypyrazol-4-yl]piperidine
SMILESOn1cc(C2CCNCC2)c(-c2cn(Cc3ccccc3)cn2)n1
InChIInChI=1S/C18H21N5O/c24-23-11-16(15-6-8-19-9-7-15)18(21-23)17-12-22(13-20-17)10-14-4-2-1-3-5-14/h1-5,11-13,15,19,24H,6-10H2
InChIKeyAPORMLSHVFZPFR-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.50
Rot. Bonds4

About 4-[3-(1-benzylimidazol-4-yl)-1-hydroxypyrazol-4-yl]piperidine

4-[3-(1-benzylimidazol-4-yl)-1-hydroxypyrazol-4-yl]piperidine (PubChem CID 71818466) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-[3-(1-benzylimidazol-4-yl)-1-hydroxypyrazol-4-yl]piperidine.

Molecular Properties

Compound Name4-[3-(1-benzylimidazol-4-yl)-1-hydroxypyrazol-4-yl]piperidine
PubChem CID71818466
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name4-[3-(1-benzylimidazol-4-yl)-1-hydroxypyrazol-4-yl]piperidine
SMILESOn1cc(C2CCNCC2)c(-c2cn(Cc3ccccc3)cn2)n1
InChIInChI=1S/C18H21N5O/c24-23-11-16(15-6-8-19-9-7-15)18(21-23)17-12-22(13-20-17)10-14-4-2-1-3-5-14/h1-5,11-13,15,19,24H,6-10H2
InChIKeyAPORMLSHVFZPFR-UHFFFAOYSA-N
XLogP2.50
TPSA67.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-benzylimidazol-4-yl)-1-hydroxypyrazol-4-yl]piperidine?
The IUPAC name of 4-[3-(1-benzylimidazol-4-yl)-1-hydroxypyrazol-4-yl]piperidine (CID 71818466) is 4-[3-(1-benzylimidazol-4-yl)-1-hydroxypyrazol-4-yl]piperidine.
What is the SMILES notation for 4-[3-(1-benzylimidazol-4-yl)-1-hydroxypyrazol-4-yl]piperidine?
The canonical SMILES for 4-[3-(1-benzylimidazol-4-yl)-1-hydroxypyrazol-4-yl]piperidine is On1cc(C2CCNCC2)c(-c2cn(Cc3ccccc3)cn2)n1.
What is the InChIKey of 4-[3-(1-benzylimidazol-4-yl)-1-hydroxypyrazol-4-yl]piperidine?
The InChIKey is APORMLSHVFZPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c24-23-11-16(15-6-8-19-9-7-15)18(21-23)17-12-22(13-20-17)10-14-4-2-1-3-5-14/h1-5,11-13,15,19,24H,6-10H2.
What are the key properties of 4-[3-(1-benzylimidazol-4-yl)-1-hydroxypyrazol-4-yl]piperidine?
4-[3-(1-benzylimidazol-4-yl)-1-hydroxypyrazol-4-yl]piperidine has a molecular weight of 323.40 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-benzylimidazol-4-yl)-1-hydroxypyrazol-4-yl]piperidine is sourced from PubChem (CID 71818466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).