4-(2-pyrazol-1-ylethyl)-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine

C21H27N5 — CID 70739734

IUPAC4-(2-pyrazol-1-ylethyl)-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine
SMILESc1cc(CN2CCC(CCn3cccn3)CC2)cc(Cn2cccn2)c1
InChIInChI=1S/C21H27N5/c1-4-20(16-21(5-1)18-26-12-3-10-23-26)17-24-13-6-19(7-14-24)8-15-25-11-2-9-22-25/h1-5,9-12,16,19H,6-8,13-15,17-18H2
InChIKeyJPMNNAUKPCPLBR-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.43
Rot. Bonds7

About 4-(2-pyrazol-1-ylethyl)-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine

4-(2-pyrazol-1-ylethyl)-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine (PubChem CID 70739734) has the molecular formula C21H27N5 and a molecular weight of 349.48 g/mol. Its IUPAC name is 4-(2-pyrazol-1-ylethyl)-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name4-(2-pyrazol-1-ylethyl)-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine
PubChem CID70739734
Molecular FormulaC21H27N5
Molecular Weight349.48 g/mol
Exact Mass349.23
IUPAC Name4-(2-pyrazol-1-ylethyl)-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine
SMILESc1cc(CN2CCC(CCn3cccn3)CC2)cc(Cn2cccn2)c1
InChIInChI=1S/C21H27N5/c1-4-20(16-21(5-1)18-26-12-3-10-23-26)17-24-13-6-19(7-14-24)8-15-25-11-2-9-22-25/h1-5,9-12,16,19H,6-8,13-15,17-18H2
InChIKeyJPMNNAUKPCPLBR-UHFFFAOYSA-N
XLogP3.43
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-pyrazol-1-ylethyl)-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine?
The IUPAC name of 4-(2-pyrazol-1-ylethyl)-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine (CID 70739734) is 4-(2-pyrazol-1-ylethyl)-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine.
What is the SMILES notation for 4-(2-pyrazol-1-ylethyl)-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine?
The canonical SMILES for 4-(2-pyrazol-1-ylethyl)-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine is c1cc(CN2CCC(CCn3cccn3)CC2)cc(Cn2cccn2)c1.
What is the InChIKey of 4-(2-pyrazol-1-ylethyl)-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine?
The InChIKey is JPMNNAUKPCPLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5/c1-4-20(16-21(5-1)18-26-12-3-10-23-26)17-24-13-6-19(7-14-24)8-15-25-11-2-9-22-25/h1-5,9-12,16,19H,6-8,13-15,17-18H2.
What are the key properties of 4-(2-pyrazol-1-ylethyl)-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine?
4-(2-pyrazol-1-ylethyl)-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine has a molecular weight of 349.48 g/mol, XLogP of 3.43, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyrazol-1-ylethyl)-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine is sourced from PubChem (CID 70739734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).