2,3-dimethyl-4-(1-phenylpyrazol-4-yl)pyridine

C16H15N3 — CID 70683532

IUPAC2,3-dimethyl-4-(1-phenylpyrazol-4-yl)pyridine
SMILESCc1nccc(-c2cnn(-c3ccccc3)c2)c1C
InChIInChI=1S/C16H15N3/c1-12-13(2)17-9-8-16(12)14-10-18-19(11-14)15-6-4-3-5-7-15/h3-11H,1-2H3
InChIKeyLRGZPMFVDLUUNW-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.55
Rot. Bonds2

About 2,3-dimethyl-4-(1-phenylpyrazol-4-yl)pyridine

2,3-dimethyl-4-(1-phenylpyrazol-4-yl)pyridine (PubChem CID 70683532) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 2,3-dimethyl-4-(1-phenylpyrazol-4-yl)pyridine.

Molecular Properties

Compound Name2,3-dimethyl-4-(1-phenylpyrazol-4-yl)pyridine
PubChem CID70683532
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name2,3-dimethyl-4-(1-phenylpyrazol-4-yl)pyridine
SMILESCc1nccc(-c2cnn(-c3ccccc3)c2)c1C
InChIInChI=1S/C16H15N3/c1-12-13(2)17-9-8-16(12)14-10-18-19(11-14)15-6-4-3-5-7-15/h3-11H,1-2H3
InChIKeyLRGZPMFVDLUUNW-UHFFFAOYSA-N
XLogP3.55
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-(1-phenylpyrazol-4-yl)pyridine?
The IUPAC name of 2,3-dimethyl-4-(1-phenylpyrazol-4-yl)pyridine (CID 70683532) is 2,3-dimethyl-4-(1-phenylpyrazol-4-yl)pyridine.
What is the SMILES notation for 2,3-dimethyl-4-(1-phenylpyrazol-4-yl)pyridine?
The canonical SMILES for 2,3-dimethyl-4-(1-phenylpyrazol-4-yl)pyridine is Cc1nccc(-c2cnn(-c3ccccc3)c2)c1C.
What is the InChIKey of 2,3-dimethyl-4-(1-phenylpyrazol-4-yl)pyridine?
The InChIKey is LRGZPMFVDLUUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-12-13(2)17-9-8-16(12)14-10-18-19(11-14)15-6-4-3-5-7-15/h3-11H,1-2H3.
What are the key properties of 2,3-dimethyl-4-(1-phenylpyrazol-4-yl)pyridine?
2,3-dimethyl-4-(1-phenylpyrazol-4-yl)pyridine has a molecular weight of 249.32 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-(1-phenylpyrazol-4-yl)pyridine is sourced from PubChem (CID 70683532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).