2-(3,5-dimethylpyrazol-1-yl)-4-[[3-(5-methyl-1H-pyrazol-3-yl)phenyl]methyl]pyridine

C21H21N5 — CID 159817274

IUPAC2-(3,5-dimethylpyrazol-1-yl)-4-[[3-(5-methyl-1H-pyrazol-3-yl)phenyl]methyl]pyridine
SMILESCc1cc(C)n(-c2cc(Cc3cccc(-c4cc(C)[nH]n4)c3)ccn2)n1
InChIInChI=1S/C21H21N5/c1-14-10-20(24-23-14)19-6-4-5-17(12-19)11-18-7-8-22-21(13-18)26-16(3)9-15(2)25-26/h4-10,12-13H,11H2,1-3H3,(H,23,24)
InChIKeyODUGKHLFDLFELN-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.17
Rot. Bonds4

About 2-(3,5-dimethylpyrazol-1-yl)-4-[[3-(5-methyl-1H-pyrazol-3-yl)phenyl]methyl]pyridine

2-(3,5-dimethylpyrazol-1-yl)-4-[[3-(5-methyl-1H-pyrazol-3-yl)phenyl]methyl]pyridine (PubChem CID 159817274) has the molecular formula C21H21N5 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-4-[[3-(5-methyl-1H-pyrazol-3-yl)phenyl]methyl]pyridine.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-4-[[3-(5-methyl-1H-pyrazol-3-yl)phenyl]methyl]pyridine
PubChem CID159817274
Molecular FormulaC21H21N5
Molecular Weight343.43 g/mol
Exact Mass343.18
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-4-[[3-(5-methyl-1H-pyrazol-3-yl)phenyl]methyl]pyridine
SMILESCc1cc(C)n(-c2cc(Cc3cccc(-c4cc(C)[nH]n4)c3)ccn2)n1
InChIInChI=1S/C21H21N5/c1-14-10-20(24-23-14)19-6-4-5-17(12-19)11-18-7-8-22-21(13-18)26-16(3)9-15(2)25-26/h4-10,12-13H,11H2,1-3H3,(H,23,24)
InChIKeyODUGKHLFDLFELN-UHFFFAOYSA-N
XLogP4.17
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-4-[[3-(5-methyl-1H-pyrazol-3-yl)phenyl]methyl]pyridine?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-4-[[3-(5-methyl-1H-pyrazol-3-yl)phenyl]methyl]pyridine (CID 159817274) is 2-(3,5-dimethylpyrazol-1-yl)-4-[[3-(5-methyl-1H-pyrazol-3-yl)phenyl]methyl]pyridine.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-4-[[3-(5-methyl-1H-pyrazol-3-yl)phenyl]methyl]pyridine?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-4-[[3-(5-methyl-1H-pyrazol-3-yl)phenyl]methyl]pyridine is Cc1cc(C)n(-c2cc(Cc3cccc(-c4cc(C)[nH]n4)c3)ccn2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-4-[[3-(5-methyl-1H-pyrazol-3-yl)phenyl]methyl]pyridine?
The InChIKey is ODUGKHLFDLFELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5/c1-14-10-20(24-23-14)19-6-4-5-17(12-19)11-18-7-8-22-21(13-18)26-16(3)9-15(2)25-26/h4-10,12-13H,11H2,1-3H3,(H,23,24).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-4-[[3-(5-methyl-1H-pyrazol-3-yl)phenyl]methyl]pyridine?
2-(3,5-dimethylpyrazol-1-yl)-4-[[3-(5-methyl-1H-pyrazol-3-yl)phenyl]methyl]pyridine has a molecular weight of 343.43 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-4-[[3-(5-methyl-1H-pyrazol-3-yl)phenyl]methyl]pyridine is sourced from PubChem (CID 159817274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).