4-[4-[4-(4-ethyl-1H-pyrazol-5-yl)phenyl]-1-methylpyrazol-3-yl]pyridine

C20H19N5 — CID 54581683

IUPAC4-[4-[4-(4-ethyl-1H-pyrazol-5-yl)phenyl]-1-methylpyrazol-3-yl]pyridine
SMILESCCc1cn[nH]c1-c1ccc(-c2cn(C)nc2-c2ccncc2)cc1
InChIInChI=1S/C20H19N5/c1-3-14-12-22-23-19(14)16-6-4-15(5-7-16)18-13-25(2)24-20(18)17-8-10-21-11-9-17/h4-13H,3H2,1-2H3,(H,22,23)
InChIKeyOTSYWSKJDYYMGO-UHFFFAOYSA-N
MW329.41 g/mol
LogP4.10
Rot. Bonds4

About 4-[4-[4-(4-ethyl-1H-pyrazol-5-yl)phenyl]-1-methylpyrazol-3-yl]pyridine

4-[4-[4-(4-ethyl-1H-pyrazol-5-yl)phenyl]-1-methylpyrazol-3-yl]pyridine (PubChem CID 54581683) has the molecular formula C20H19N5 and a molecular weight of 329.41 g/mol. Its IUPAC name is 4-[4-[4-(4-ethyl-1H-pyrazol-5-yl)phenyl]-1-methylpyrazol-3-yl]pyridine.

Molecular Properties

Compound Name4-[4-[4-(4-ethyl-1H-pyrazol-5-yl)phenyl]-1-methylpyrazol-3-yl]pyridine
PubChem CID54581683
Molecular FormulaC20H19N5
Molecular Weight329.41 g/mol
Exact Mass329.16
IUPAC Name4-[4-[4-(4-ethyl-1H-pyrazol-5-yl)phenyl]-1-methylpyrazol-3-yl]pyridine
SMILESCCc1cn[nH]c1-c1ccc(-c2cn(C)nc2-c2ccncc2)cc1
InChIInChI=1S/C20H19N5/c1-3-14-12-22-23-19(14)16-6-4-15(5-7-16)18-13-25(2)24-20(18)17-8-10-21-11-9-17/h4-13H,3H2,1-2H3,(H,22,23)
InChIKeyOTSYWSKJDYYMGO-UHFFFAOYSA-N
XLogP4.10
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(4-ethyl-1H-pyrazol-5-yl)phenyl]-1-methylpyrazol-3-yl]pyridine?
The IUPAC name of 4-[4-[4-(4-ethyl-1H-pyrazol-5-yl)phenyl]-1-methylpyrazol-3-yl]pyridine (CID 54581683) is 4-[4-[4-(4-ethyl-1H-pyrazol-5-yl)phenyl]-1-methylpyrazol-3-yl]pyridine.
What is the SMILES notation for 4-[4-[4-(4-ethyl-1H-pyrazol-5-yl)phenyl]-1-methylpyrazol-3-yl]pyridine?
The canonical SMILES for 4-[4-[4-(4-ethyl-1H-pyrazol-5-yl)phenyl]-1-methylpyrazol-3-yl]pyridine is CCc1cn[nH]c1-c1ccc(-c2cn(C)nc2-c2ccncc2)cc1.
What is the InChIKey of 4-[4-[4-(4-ethyl-1H-pyrazol-5-yl)phenyl]-1-methylpyrazol-3-yl]pyridine?
The InChIKey is OTSYWSKJDYYMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5/c1-3-14-12-22-23-19(14)16-6-4-15(5-7-16)18-13-25(2)24-20(18)17-8-10-21-11-9-17/h4-13H,3H2,1-2H3,(H,22,23).
What are the key properties of 4-[4-[4-(4-ethyl-1H-pyrazol-5-yl)phenyl]-1-methylpyrazol-3-yl]pyridine?
4-[4-[4-(4-ethyl-1H-pyrazol-5-yl)phenyl]-1-methylpyrazol-3-yl]pyridine has a molecular weight of 329.41 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(4-ethyl-1H-pyrazol-5-yl)phenyl]-1-methylpyrazol-3-yl]pyridine is sourced from PubChem (CID 54581683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).