3-(4-phenyl-1H-pyrazol-5-yl)-1-(1H-pyrazol-5-ylmethyl)piperidine

C18H21N5 — CID 45248311

IUPAC3-(4-phenyl-1H-pyrazol-5-yl)-1-(1H-pyrazol-5-ylmethyl)piperidine
SMILESc1ccc(-c2cn[nH]c2C2CCCN(Cc3ccn[nH]3)C2)cc1
InChIInChI=1S/C18H21N5/c1-2-5-14(6-3-1)17-11-20-22-18(17)15-7-4-10-23(12-15)13-16-8-9-19-21-16/h1-3,5-6,8-9,11,15H,4,7,10,12-13H2,(H,19,21)(H,20,22)
InChIKeyCQIDXYPMIVTWPG-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.18
Rot. Bonds4

About 3-(4-phenyl-1H-pyrazol-5-yl)-1-(1H-pyrazol-5-ylmethyl)piperidine

3-(4-phenyl-1H-pyrazol-5-yl)-1-(1H-pyrazol-5-ylmethyl)piperidine (PubChem CID 45248311) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 3-(4-phenyl-1H-pyrazol-5-yl)-1-(1H-pyrazol-5-ylmethyl)piperidine.

Molecular Properties

Compound Name3-(4-phenyl-1H-pyrazol-5-yl)-1-(1H-pyrazol-5-ylmethyl)piperidine
PubChem CID45248311
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name3-(4-phenyl-1H-pyrazol-5-yl)-1-(1H-pyrazol-5-ylmethyl)piperidine
SMILESc1ccc(-c2cn[nH]c2C2CCCN(Cc3ccn[nH]3)C2)cc1
InChIInChI=1S/C18H21N5/c1-2-5-14(6-3-1)17-11-20-22-18(17)15-7-4-10-23(12-15)13-16-8-9-19-21-16/h1-3,5-6,8-9,11,15H,4,7,10,12-13H2,(H,19,21)(H,20,22)
InChIKeyCQIDXYPMIVTWPG-UHFFFAOYSA-N
XLogP3.18
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-phenyl-1H-pyrazol-5-yl)-1-(1H-pyrazol-5-ylmethyl)piperidine?
The IUPAC name of 3-(4-phenyl-1H-pyrazol-5-yl)-1-(1H-pyrazol-5-ylmethyl)piperidine (CID 45248311) is 3-(4-phenyl-1H-pyrazol-5-yl)-1-(1H-pyrazol-5-ylmethyl)piperidine.
What is the SMILES notation for 3-(4-phenyl-1H-pyrazol-5-yl)-1-(1H-pyrazol-5-ylmethyl)piperidine?
The canonical SMILES for 3-(4-phenyl-1H-pyrazol-5-yl)-1-(1H-pyrazol-5-ylmethyl)piperidine is c1ccc(-c2cn[nH]c2C2CCCN(Cc3ccn[nH]3)C2)cc1.
What is the InChIKey of 3-(4-phenyl-1H-pyrazol-5-yl)-1-(1H-pyrazol-5-ylmethyl)piperidine?
The InChIKey is CQIDXYPMIVTWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-2-5-14(6-3-1)17-11-20-22-18(17)15-7-4-10-23(12-15)13-16-8-9-19-21-16/h1-3,5-6,8-9,11,15H,4,7,10,12-13H2,(H,19,21)(H,20,22).
What are the key properties of 3-(4-phenyl-1H-pyrazol-5-yl)-1-(1H-pyrazol-5-ylmethyl)piperidine?
3-(4-phenyl-1H-pyrazol-5-yl)-1-(1H-pyrazol-5-ylmethyl)piperidine has a molecular weight of 307.40 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenyl-1H-pyrazol-5-yl)-1-(1H-pyrazol-5-ylmethyl)piperidine is sourced from PubChem (CID 45248311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).