4-[1-methyl-4-[4-(2H-triazol-4-yl)phenyl]pyrazol-3-yl]pyridine

C17H14N6 — CID 54587569

IUPAC4-[1-methyl-4-[4-(2H-triazol-4-yl)phenyl]pyrazol-3-yl]pyridine
SMILESCn1cc(-c2ccc(-c3cn[nH]n3)cc2)c(-c2ccncc2)n1
InChIInChI=1S/C17H14N6/c1-23-11-15(17(21-23)14-6-8-18-9-7-14)12-2-4-13(5-3-12)16-10-19-22-20-16/h2-11H,1H3,(H,19,20,22)
InChIKeyFMVRIEFJBLSHBW-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.93
Rot. Bonds3

About 4-[1-methyl-4-[4-(2H-triazol-4-yl)phenyl]pyrazol-3-yl]pyridine

4-[1-methyl-4-[4-(2H-triazol-4-yl)phenyl]pyrazol-3-yl]pyridine (PubChem CID 54587569) has the molecular formula C17H14N6 and a molecular weight of 302.34 g/mol. Its IUPAC name is 4-[1-methyl-4-[4-(2H-triazol-4-yl)phenyl]pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name4-[1-methyl-4-[4-(2H-triazol-4-yl)phenyl]pyrazol-3-yl]pyridine
PubChem CID54587569
Molecular FormulaC17H14N6
Molecular Weight302.34 g/mol
Exact Mass302.13
IUPAC Name4-[1-methyl-4-[4-(2H-triazol-4-yl)phenyl]pyrazol-3-yl]pyridine
SMILESCn1cc(-c2ccc(-c3cn[nH]n3)cc2)c(-c2ccncc2)n1
InChIInChI=1S/C17H14N6/c1-23-11-15(17(21-23)14-6-8-18-9-7-14)12-2-4-13(5-3-12)16-10-19-22-20-16/h2-11H,1H3,(H,19,20,22)
InChIKeyFMVRIEFJBLSHBW-UHFFFAOYSA-N
XLogP2.93
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-methyl-4-[4-(2H-triazol-4-yl)phenyl]pyrazol-3-yl]pyridine?
The IUPAC name of 4-[1-methyl-4-[4-(2H-triazol-4-yl)phenyl]pyrazol-3-yl]pyridine (CID 54587569) is 4-[1-methyl-4-[4-(2H-triazol-4-yl)phenyl]pyrazol-3-yl]pyridine.
What is the SMILES notation for 4-[1-methyl-4-[4-(2H-triazol-4-yl)phenyl]pyrazol-3-yl]pyridine?
The canonical SMILES for 4-[1-methyl-4-[4-(2H-triazol-4-yl)phenyl]pyrazol-3-yl]pyridine is Cn1cc(-c2ccc(-c3cn[nH]n3)cc2)c(-c2ccncc2)n1.
What is the InChIKey of 4-[1-methyl-4-[4-(2H-triazol-4-yl)phenyl]pyrazol-3-yl]pyridine?
The InChIKey is FMVRIEFJBLSHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6/c1-23-11-15(17(21-23)14-6-8-18-9-7-14)12-2-4-13(5-3-12)16-10-19-22-20-16/h2-11H,1H3,(H,19,20,22).
What are the key properties of 4-[1-methyl-4-[4-(2H-triazol-4-yl)phenyl]pyrazol-3-yl]pyridine?
4-[1-methyl-4-[4-(2H-triazol-4-yl)phenyl]pyrazol-3-yl]pyridine has a molecular weight of 302.34 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-methyl-4-[4-(2H-triazol-4-yl)phenyl]pyrazol-3-yl]pyridine is sourced from PubChem (CID 54587569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).