3-(4-benzyl-1H-pyrazol-5-yl)-1-cyclohexylpiperidine

C21H29N3 — CID 56855128

IUPAC3-(4-benzyl-1H-pyrazol-5-yl)-1-cyclohexylpiperidine
SMILESc1ccc(Cc2cn[nH]c2C2CCCN(C3CCCCC3)C2)cc1
InChIInChI=1S/C21H29N3/c1-3-8-17(9-4-1)14-19-15-22-23-21(19)18-10-7-13-24(16-18)20-11-5-2-6-12-20/h1,3-4,8-9,15,18,20H,2,5-7,10-14,16H2,(H,22,23)
InChIKeyUTVISMSGZAZONE-UHFFFAOYSA-N
MW323.48 g/mol
LogP4.51
Rot. Bonds4

About 3-(4-benzyl-1H-pyrazol-5-yl)-1-cyclohexylpiperidine

3-(4-benzyl-1H-pyrazol-5-yl)-1-cyclohexylpiperidine (PubChem CID 56855128) has the molecular formula C21H29N3 and a molecular weight of 323.48 g/mol. Its IUPAC name is 3-(4-benzyl-1H-pyrazol-5-yl)-1-cyclohexylpiperidine.

Molecular Properties

Compound Name3-(4-benzyl-1H-pyrazol-5-yl)-1-cyclohexylpiperidine
PubChem CID56855128
Molecular FormulaC21H29N3
Molecular Weight323.48 g/mol
Exact Mass323.24
IUPAC Name3-(4-benzyl-1H-pyrazol-5-yl)-1-cyclohexylpiperidine
SMILESc1ccc(Cc2cn[nH]c2C2CCCN(C3CCCCC3)C2)cc1
InChIInChI=1S/C21H29N3/c1-3-8-17(9-4-1)14-19-15-22-23-21(19)18-10-7-13-24(16-18)20-11-5-2-6-12-20/h1,3-4,8-9,15,18,20H,2,5-7,10-14,16H2,(H,22,23)
InChIKeyUTVISMSGZAZONE-UHFFFAOYSA-N
XLogP4.51
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-benzyl-1H-pyrazol-5-yl)-1-cyclohexylpiperidine?
The IUPAC name of 3-(4-benzyl-1H-pyrazol-5-yl)-1-cyclohexylpiperidine (CID 56855128) is 3-(4-benzyl-1H-pyrazol-5-yl)-1-cyclohexylpiperidine.
What is the SMILES notation for 3-(4-benzyl-1H-pyrazol-5-yl)-1-cyclohexylpiperidine?
The canonical SMILES for 3-(4-benzyl-1H-pyrazol-5-yl)-1-cyclohexylpiperidine is c1ccc(Cc2cn[nH]c2C2CCCN(C3CCCCC3)C2)cc1.
What is the InChIKey of 3-(4-benzyl-1H-pyrazol-5-yl)-1-cyclohexylpiperidine?
The InChIKey is UTVISMSGZAZONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3/c1-3-8-17(9-4-1)14-19-15-22-23-21(19)18-10-7-13-24(16-18)20-11-5-2-6-12-20/h1,3-4,8-9,15,18,20H,2,5-7,10-14,16H2,(H,22,23).
What are the key properties of 3-(4-benzyl-1H-pyrazol-5-yl)-1-cyclohexylpiperidine?
3-(4-benzyl-1H-pyrazol-5-yl)-1-cyclohexylpiperidine has a molecular weight of 323.48 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzyl-1H-pyrazol-5-yl)-1-cyclohexylpiperidine is sourced from PubChem (CID 56855128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).