2-pyrazol-1-yl-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine

C16H12N6 — CID 56663574

IUPAC2-pyrazol-1-yl-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
SMILESc1ccc(-c2[nH]ncc2-c2ccnc(-n3cccn3)c2)nc1
InChIInChI=1S/C16H12N6/c1-2-6-17-14(4-1)16-13(11-19-21-16)12-5-8-18-15(10-12)22-9-3-7-20-22/h1-11H,(H,19,21)
InChIKeyYWKTUNHCMPHUCG-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.72
Rot. Bonds3

About 2-pyrazol-1-yl-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine

2-pyrazol-1-yl-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine (PubChem CID 56663574) has the molecular formula C16H12N6 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-pyrazol-1-yl-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine.

Molecular Properties

Compound Name2-pyrazol-1-yl-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
PubChem CID56663574
Molecular FormulaC16H12N6
Molecular Weight288.31 g/mol
Exact Mass288.11
IUPAC Name2-pyrazol-1-yl-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
SMILESc1ccc(-c2[nH]ncc2-c2ccnc(-n3cccn3)c2)nc1
InChIInChI=1S/C16H12N6/c1-2-6-17-14(4-1)16-13(11-19-21-16)12-5-8-18-15(10-12)22-9-3-7-20-22/h1-11H,(H,19,21)
InChIKeyYWKTUNHCMPHUCG-UHFFFAOYSA-N
XLogP2.72
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-yl-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine?
The IUPAC name of 2-pyrazol-1-yl-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine (CID 56663574) is 2-pyrazol-1-yl-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine.
What is the SMILES notation for 2-pyrazol-1-yl-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine?
The canonical SMILES for 2-pyrazol-1-yl-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine is c1ccc(-c2[nH]ncc2-c2ccnc(-n3cccn3)c2)nc1.
What is the InChIKey of 2-pyrazol-1-yl-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine?
The InChIKey is YWKTUNHCMPHUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6/c1-2-6-17-14(4-1)16-13(11-19-21-16)12-5-8-18-15(10-12)22-9-3-7-20-22/h1-11H,(H,19,21).
What are the key properties of 2-pyrazol-1-yl-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine?
2-pyrazol-1-yl-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine has a molecular weight of 288.31 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-yl-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine is sourced from PubChem (CID 56663574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).