4-(5-piperidin-4-yl-1H-pyrazol-3-yl)pyridine

C13H16N4 — CID 46937430

IUPAC4-(5-piperidin-4-yl-1H-pyrazol-3-yl)pyridine
SMILESc1cc(-c2cc(C3CCNCC3)[nH]n2)ccn1
InChIInChI=1S/C13H16N4/c1-5-14-6-2-10(1)12-9-13(17-16-12)11-3-7-15-8-4-11/h1-2,5-6,9,11,15H,3-4,7-8H2,(H,16,17)
InChIKeyVXNHTGWDWVCFSI-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.94
Rot. Bonds2

About 4-(5-piperidin-4-yl-1H-pyrazol-3-yl)pyridine

4-(5-piperidin-4-yl-1H-pyrazol-3-yl)pyridine (PubChem CID 46937430) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 4-(5-piperidin-4-yl-1H-pyrazol-3-yl)pyridine.

Molecular Properties

Compound Name4-(5-piperidin-4-yl-1H-pyrazol-3-yl)pyridine
PubChem CID46937430
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name4-(5-piperidin-4-yl-1H-pyrazol-3-yl)pyridine
SMILESc1cc(-c2cc(C3CCNCC3)[nH]n2)ccn1
InChIInChI=1S/C13H16N4/c1-5-14-6-2-10(1)12-9-13(17-16-12)11-3-7-15-8-4-11/h1-2,5-6,9,11,15H,3-4,7-8H2,(H,16,17)
InChIKeyVXNHTGWDWVCFSI-UHFFFAOYSA-N
XLogP1.94
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-piperidin-4-yl-1H-pyrazol-3-yl)pyridine?
The IUPAC name of 4-(5-piperidin-4-yl-1H-pyrazol-3-yl)pyridine (CID 46937430) is 4-(5-piperidin-4-yl-1H-pyrazol-3-yl)pyridine.
What is the SMILES notation for 4-(5-piperidin-4-yl-1H-pyrazol-3-yl)pyridine?
The canonical SMILES for 4-(5-piperidin-4-yl-1H-pyrazol-3-yl)pyridine is c1cc(-c2cc(C3CCNCC3)[nH]n2)ccn1.
What is the InChIKey of 4-(5-piperidin-4-yl-1H-pyrazol-3-yl)pyridine?
The InChIKey is VXNHTGWDWVCFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-5-14-6-2-10(1)12-9-13(17-16-12)11-3-7-15-8-4-11/h1-2,5-6,9,11,15H,3-4,7-8H2,(H,16,17).
What are the key properties of 4-(5-piperidin-4-yl-1H-pyrazol-3-yl)pyridine?
4-(5-piperidin-4-yl-1H-pyrazol-3-yl)pyridine has a molecular weight of 228.30 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-piperidin-4-yl-1H-pyrazol-3-yl)pyridine is sourced from PubChem (CID 46937430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).