3-(4-ethyl-1,2,4-triazol-3-yl)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidine

C19H24N6 — CID 53192661

IUPAC3-(4-ethyl-1,2,4-triazol-3-yl)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidine
SMILESCCn1cnnc1C1CCCN(Cc2cn[nH]c2-c2ccccc2)C1
InChIInChI=1S/C19H24N6/c1-2-25-14-21-23-19(25)16-9-6-10-24(12-16)13-17-11-20-22-18(17)15-7-4-3-5-8-15/h3-5,7-8,11,14,16H,2,6,9-10,12-13H2,1H3,(H,20,22)
InChIKeyXHTURXWSCLXQEY-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.07
Rot. Bonds5

About 3-(4-ethyl-1,2,4-triazol-3-yl)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidine

3-(4-ethyl-1,2,4-triazol-3-yl)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidine (PubChem CID 53192661) has the molecular formula C19H24N6 and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-(4-ethyl-1,2,4-triazol-3-yl)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidine.

Molecular Properties

Compound Name3-(4-ethyl-1,2,4-triazol-3-yl)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidine
PubChem CID53192661
Molecular FormulaC19H24N6
Molecular Weight336.44 g/mol
Exact Mass336.21
IUPAC Name3-(4-ethyl-1,2,4-triazol-3-yl)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidine
SMILESCCn1cnnc1C1CCCN(Cc2cn[nH]c2-c2ccccc2)C1
InChIInChI=1S/C19H24N6/c1-2-25-14-21-23-19(25)16-9-6-10-24(12-16)13-17-11-20-22-18(17)15-7-4-3-5-8-15/h3-5,7-8,11,14,16H,2,6,9-10,12-13H2,1H3,(H,20,22)
InChIKeyXHTURXWSCLXQEY-UHFFFAOYSA-N
XLogP3.07
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-1,2,4-triazol-3-yl)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidine?
The IUPAC name of 3-(4-ethyl-1,2,4-triazol-3-yl)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidine (CID 53192661) is 3-(4-ethyl-1,2,4-triazol-3-yl)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidine.
What is the SMILES notation for 3-(4-ethyl-1,2,4-triazol-3-yl)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidine?
The canonical SMILES for 3-(4-ethyl-1,2,4-triazol-3-yl)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidine is CCn1cnnc1C1CCCN(Cc2cn[nH]c2-c2ccccc2)C1.
What is the InChIKey of 3-(4-ethyl-1,2,4-triazol-3-yl)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidine?
The InChIKey is XHTURXWSCLXQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6/c1-2-25-14-21-23-19(25)16-9-6-10-24(12-16)13-17-11-20-22-18(17)15-7-4-3-5-8-15/h3-5,7-8,11,14,16H,2,6,9-10,12-13H2,1H3,(H,20,22).
What are the key properties of 3-(4-ethyl-1,2,4-triazol-3-yl)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidine?
3-(4-ethyl-1,2,4-triazol-3-yl)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidine has a molecular weight of 336.44 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-1,2,4-triazol-3-yl)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidine is sourced from PubChem (CID 53192661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).