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

C18H24N6S — CID 53192759

IUPAC3-(4-propyl-1,2,4-triazol-3-yl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidine
SMILESCCCn1cnnc1C1CCCN(Cc2cn[nH]c2-c2cccs2)C1
InChIInChI=1S/C18H24N6S/c1-2-7-24-13-20-22-18(24)14-5-3-8-23(11-14)12-15-10-19-21-17(15)16-6-4-9-25-16/h4,6,9-10,13-14H,2-3,5,7-8,11-12H2,1H3,(H,19,21)
InChIKeyYREMPRUOVLOMPT-UHFFFAOYSA-N
MW356.50 g/mol
LogP3.52
Rot. Bonds6

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

3-(4-propyl-1,2,4-triazol-3-yl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidine (PubChem CID 53192759) has the molecular formula C18H24N6S and a molecular weight of 356.50 g/mol. Its IUPAC name is 3-(4-propyl-1,2,4-triazol-3-yl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidine.

Molecular Properties

Compound Name3-(4-propyl-1,2,4-triazol-3-yl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidine
PubChem CID53192759
Molecular FormulaC18H24N6S
Molecular Weight356.50 g/mol
Exact Mass356.18
IUPAC Name3-(4-propyl-1,2,4-triazol-3-yl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidine
SMILESCCCn1cnnc1C1CCCN(Cc2cn[nH]c2-c2cccs2)C1
InChIInChI=1S/C18H24N6S/c1-2-7-24-13-20-22-18(24)14-5-3-8-23(11-14)12-15-10-19-21-17(15)16-6-4-9-25-16/h4,6,9-10,13-14H,2-3,5,7-8,11-12H2,1H3,(H,19,21)
InChIKeyYREMPRUOVLOMPT-UHFFFAOYSA-N
XLogP3.52
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-propyl-1,2,4-triazol-3-yl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidine?
The IUPAC name of 3-(4-propyl-1,2,4-triazol-3-yl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidine (CID 53192759) is 3-(4-propyl-1,2,4-triazol-3-yl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidine.
What is the SMILES notation for 3-(4-propyl-1,2,4-triazol-3-yl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidine?
The canonical SMILES for 3-(4-propyl-1,2,4-triazol-3-yl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidine is CCCn1cnnc1C1CCCN(Cc2cn[nH]c2-c2cccs2)C1.
What is the InChIKey of 3-(4-propyl-1,2,4-triazol-3-yl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidine?
The InChIKey is YREMPRUOVLOMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6S/c1-2-7-24-13-20-22-18(24)14-5-3-8-23(11-14)12-15-10-19-21-17(15)16-6-4-9-25-16/h4,6,9-10,13-14H,2-3,5,7-8,11-12H2,1H3,(H,19,21).
What are the key properties of 3-(4-propyl-1,2,4-triazol-3-yl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidine?
3-(4-propyl-1,2,4-triazol-3-yl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidine has a molecular weight of 356.50 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propyl-1,2,4-triazol-3-yl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidine is sourced from PubChem (CID 53192759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).