2-(4-methylpyrazol-1-yl)-4,6-diphenylpyrimidine

C20H16N4 — CID 755243

IUPAC2-(4-methylpyrazol-1-yl)-4,6-diphenylpyrimidine
SMILESCc1cnn(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1
InChIInChI=1S/C20H16N4/c1-15-13-21-24(14-15)20-22-18(16-8-4-2-5-9-16)12-19(23-20)17-10-6-3-7-11-17/h2-14H,1H3
InChIKeyUMODPOHVGSVALO-UHFFFAOYSA-N
MW312.38 g/mol
LogP4.30
Rot. Bonds3

About 2-(4-methylpyrazol-1-yl)-4,6-diphenylpyrimidine

2-(4-methylpyrazol-1-yl)-4,6-diphenylpyrimidine (PubChem CID 755243) has the molecular formula C20H16N4 and a molecular weight of 312.38 g/mol. Its IUPAC name is 2-(4-methylpyrazol-1-yl)-4,6-diphenylpyrimidine.

Molecular Properties

Compound Name2-(4-methylpyrazol-1-yl)-4,6-diphenylpyrimidine
PubChem CID755243
Molecular FormulaC20H16N4
Molecular Weight312.38 g/mol
Exact Mass312.14
IUPAC Name2-(4-methylpyrazol-1-yl)-4,6-diphenylpyrimidine
SMILESCc1cnn(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1
InChIInChI=1S/C20H16N4/c1-15-13-21-24(14-15)20-22-18(16-8-4-2-5-9-16)12-19(23-20)17-10-6-3-7-11-17/h2-14H,1H3
InChIKeyUMODPOHVGSVALO-UHFFFAOYSA-N
XLogP4.30
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpyrazol-1-yl)-4,6-diphenylpyrimidine?
The IUPAC name of 2-(4-methylpyrazol-1-yl)-4,6-diphenylpyrimidine (CID 755243) is 2-(4-methylpyrazol-1-yl)-4,6-diphenylpyrimidine.
What is the SMILES notation for 2-(4-methylpyrazol-1-yl)-4,6-diphenylpyrimidine?
The canonical SMILES for 2-(4-methylpyrazol-1-yl)-4,6-diphenylpyrimidine is Cc1cnn(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1.
What is the InChIKey of 2-(4-methylpyrazol-1-yl)-4,6-diphenylpyrimidine?
The InChIKey is UMODPOHVGSVALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4/c1-15-13-21-24(14-15)20-22-18(16-8-4-2-5-9-16)12-19(23-20)17-10-6-3-7-11-17/h2-14H,1H3.
What are the key properties of 2-(4-methylpyrazol-1-yl)-4,6-diphenylpyrimidine?
2-(4-methylpyrazol-1-yl)-4,6-diphenylpyrimidine has a molecular weight of 312.38 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpyrazol-1-yl)-4,6-diphenylpyrimidine is sourced from PubChem (CID 755243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).