4-(3,5-diphenylpyrazol-1-yl)-1-methylpiperidine

C21H23N3 — CID 59007278

IUPAC4-(3,5-diphenylpyrazol-1-yl)-1-methylpiperidine
SMILESCN1CCC(n2nc(-c3ccccc3)cc2-c2ccccc2)CC1
InChIInChI=1S/C21H23N3/c1-23-14-12-19(13-15-23)24-21(18-10-6-3-7-11-18)16-20(22-24)17-8-4-2-5-9-17/h2-11,16,19H,12-15H2,1H3
InChIKeyAWIJZKWQBIEZQM-UHFFFAOYSA-N
MW317.44 g/mol
LogP4.48
Rot. Bonds3

About 4-(3,5-diphenylpyrazol-1-yl)-1-methylpiperidine

4-(3,5-diphenylpyrazol-1-yl)-1-methylpiperidine (PubChem CID 59007278) has the molecular formula C21H23N3 and a molecular weight of 317.44 g/mol. Its IUPAC name is 4-(3,5-diphenylpyrazol-1-yl)-1-methylpiperidine.

Molecular Properties

Compound Name4-(3,5-diphenylpyrazol-1-yl)-1-methylpiperidine
PubChem CID59007278
Molecular FormulaC21H23N3
Molecular Weight317.44 g/mol
Exact Mass317.19
IUPAC Name4-(3,5-diphenylpyrazol-1-yl)-1-methylpiperidine
SMILESCN1CCC(n2nc(-c3ccccc3)cc2-c2ccccc2)CC1
InChIInChI=1S/C21H23N3/c1-23-14-12-19(13-15-23)24-21(18-10-6-3-7-11-18)16-20(22-24)17-8-4-2-5-9-17/h2-11,16,19H,12-15H2,1H3
InChIKeyAWIJZKWQBIEZQM-UHFFFAOYSA-N
XLogP4.48
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-diphenylpyrazol-1-yl)-1-methylpiperidine?
The IUPAC name of 4-(3,5-diphenylpyrazol-1-yl)-1-methylpiperidine (CID 59007278) is 4-(3,5-diphenylpyrazol-1-yl)-1-methylpiperidine.
What is the SMILES notation for 4-(3,5-diphenylpyrazol-1-yl)-1-methylpiperidine?
The canonical SMILES for 4-(3,5-diphenylpyrazol-1-yl)-1-methylpiperidine is CN1CCC(n2nc(-c3ccccc3)cc2-c2ccccc2)CC1.
What is the InChIKey of 4-(3,5-diphenylpyrazol-1-yl)-1-methylpiperidine?
The InChIKey is AWIJZKWQBIEZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3/c1-23-14-12-19(13-15-23)24-21(18-10-6-3-7-11-18)16-20(22-24)17-8-4-2-5-9-17/h2-11,16,19H,12-15H2,1H3.
What are the key properties of 4-(3,5-diphenylpyrazol-1-yl)-1-methylpiperidine?
4-(3,5-diphenylpyrazol-1-yl)-1-methylpiperidine has a molecular weight of 317.44 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-diphenylpyrazol-1-yl)-1-methylpiperidine is sourced from PubChem (CID 59007278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).