2-methyl-6-[[4-(4-pyridin-3-ylphenyl)pyrazol-1-yl]methyl]pyridine

C21H18N4 — CID 118709783

IUPAC2-methyl-6-[[4-(4-pyridin-3-ylphenyl)pyrazol-1-yl]methyl]pyridine
SMILESCc1cccc(Cn2cc(-c3ccc(-c4cccnc4)cc3)cn2)n1
InChIInChI=1S/C21H18N4/c1-16-4-2-6-21(24-16)15-25-14-20(13-23-25)18-9-7-17(8-10-18)19-5-3-11-22-12-19/h2-14H,15H2,1H3
InChIKeyRVTQQEQESQUGDI-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.36
Rot. Bonds4

About 2-methyl-6-[[4-(4-pyridin-3-ylphenyl)pyrazol-1-yl]methyl]pyridine

2-methyl-6-[[4-(4-pyridin-3-ylphenyl)pyrazol-1-yl]methyl]pyridine (PubChem CID 118709783) has the molecular formula C21H18N4 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-methyl-6-[[4-(4-pyridin-3-ylphenyl)pyrazol-1-yl]methyl]pyridine.

Molecular Properties

Compound Name2-methyl-6-[[4-(4-pyridin-3-ylphenyl)pyrazol-1-yl]methyl]pyridine
PubChem CID118709783
Molecular FormulaC21H18N4
Molecular Weight326.40 g/mol
Exact Mass326.15
IUPAC Name2-methyl-6-[[4-(4-pyridin-3-ylphenyl)pyrazol-1-yl]methyl]pyridine
SMILESCc1cccc(Cn2cc(-c3ccc(-c4cccnc4)cc3)cn2)n1
InChIInChI=1S/C21H18N4/c1-16-4-2-6-21(24-16)15-25-14-20(13-23-25)18-9-7-17(8-10-18)19-5-3-11-22-12-19/h2-14H,15H2,1H3
InChIKeyRVTQQEQESQUGDI-UHFFFAOYSA-N
XLogP4.36
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[[4-(4-pyridin-3-ylphenyl)pyrazol-1-yl]methyl]pyridine?
The IUPAC name of 2-methyl-6-[[4-(4-pyridin-3-ylphenyl)pyrazol-1-yl]methyl]pyridine (CID 118709783) is 2-methyl-6-[[4-(4-pyridin-3-ylphenyl)pyrazol-1-yl]methyl]pyridine.
What is the SMILES notation for 2-methyl-6-[[4-(4-pyridin-3-ylphenyl)pyrazol-1-yl]methyl]pyridine?
The canonical SMILES for 2-methyl-6-[[4-(4-pyridin-3-ylphenyl)pyrazol-1-yl]methyl]pyridine is Cc1cccc(Cn2cc(-c3ccc(-c4cccnc4)cc3)cn2)n1.
What is the InChIKey of 2-methyl-6-[[4-(4-pyridin-3-ylphenyl)pyrazol-1-yl]methyl]pyridine?
The InChIKey is RVTQQEQESQUGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4/c1-16-4-2-6-21(24-16)15-25-14-20(13-23-25)18-9-7-17(8-10-18)19-5-3-11-22-12-19/h2-14H,15H2,1H3.
What are the key properties of 2-methyl-6-[[4-(4-pyridin-3-ylphenyl)pyrazol-1-yl]methyl]pyridine?
2-methyl-6-[[4-(4-pyridin-3-ylphenyl)pyrazol-1-yl]methyl]pyridine has a molecular weight of 326.40 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[4-(4-pyridin-3-ylphenyl)pyrazol-1-yl]methyl]pyridine is sourced from PubChem (CID 118709783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).