4-ethyl-2-(5-ethyl-3-phenylpyrazol-1-yl)-6-phenylpyrimidine

C23H22N4 — CID 14273114

IUPAC4-ethyl-2-(5-ethyl-3-phenylpyrazol-1-yl)-6-phenylpyrimidine
SMILESCCc1cc(-c2ccccc2)nc(-n2nc(-c3ccccc3)cc2CC)n1
InChIInChI=1S/C23H22N4/c1-3-19-15-21(17-11-7-5-8-12-17)25-23(24-19)27-20(4-2)16-22(26-27)18-13-9-6-10-14-18/h5-16H,3-4H2,1-2H3
InChIKeyAPBFFFWRYQCNAT-UHFFFAOYSA-N
MW354.46 g/mol
LogP5.12
Rot. Bonds5

About 4-ethyl-2-(5-ethyl-3-phenylpyrazol-1-yl)-6-phenylpyrimidine

4-ethyl-2-(5-ethyl-3-phenylpyrazol-1-yl)-6-phenylpyrimidine (PubChem CID 14273114) has the molecular formula C23H22N4 and a molecular weight of 354.46 g/mol. Its IUPAC name is 4-ethyl-2-(5-ethyl-3-phenylpyrazol-1-yl)-6-phenylpyrimidine.

Molecular Properties

Compound Name4-ethyl-2-(5-ethyl-3-phenylpyrazol-1-yl)-6-phenylpyrimidine
PubChem CID14273114
Molecular FormulaC23H22N4
Molecular Weight354.46 g/mol
Exact Mass354.18
IUPAC Name4-ethyl-2-(5-ethyl-3-phenylpyrazol-1-yl)-6-phenylpyrimidine
SMILESCCc1cc(-c2ccccc2)nc(-n2nc(-c3ccccc3)cc2CC)n1
InChIInChI=1S/C23H22N4/c1-3-19-15-21(17-11-7-5-8-12-17)25-23(24-19)27-20(4-2)16-22(26-27)18-13-9-6-10-14-18/h5-16H,3-4H2,1-2H3
InChIKeyAPBFFFWRYQCNAT-UHFFFAOYSA-N
XLogP5.12
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.46
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(5-ethyl-3-phenylpyrazol-1-yl)-6-phenylpyrimidine?
The IUPAC name of 4-ethyl-2-(5-ethyl-3-phenylpyrazol-1-yl)-6-phenylpyrimidine (CID 14273114) is 4-ethyl-2-(5-ethyl-3-phenylpyrazol-1-yl)-6-phenylpyrimidine.
What is the SMILES notation for 4-ethyl-2-(5-ethyl-3-phenylpyrazol-1-yl)-6-phenylpyrimidine?
The canonical SMILES for 4-ethyl-2-(5-ethyl-3-phenylpyrazol-1-yl)-6-phenylpyrimidine is CCc1cc(-c2ccccc2)nc(-n2nc(-c3ccccc3)cc2CC)n1.
What is the InChIKey of 4-ethyl-2-(5-ethyl-3-phenylpyrazol-1-yl)-6-phenylpyrimidine?
The InChIKey is APBFFFWRYQCNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4/c1-3-19-15-21(17-11-7-5-8-12-17)25-23(24-19)27-20(4-2)16-22(26-27)18-13-9-6-10-14-18/h5-16H,3-4H2,1-2H3.
What are the key properties of 4-ethyl-2-(5-ethyl-3-phenylpyrazol-1-yl)-6-phenylpyrimidine?
4-ethyl-2-(5-ethyl-3-phenylpyrazol-1-yl)-6-phenylpyrimidine has a molecular weight of 354.46 g/mol, XLogP of 5.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(5-ethyl-3-phenylpyrazol-1-yl)-6-phenylpyrimidine is sourced from PubChem (CID 14273114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).