4-(3,5-diphenylpyrazol-1-yl)-6-ethoxypyrimidine

C21H18N4O — CID 748602

IUPAC4-(3,5-diphenylpyrazol-1-yl)-6-ethoxypyrimidine
SMILESCCOc1cc(-n2nc(-c3ccccc3)cc2-c2ccccc2)ncn1
InChIInChI=1S/C21H18N4O/c1-2-26-21-14-20(22-15-23-21)25-19(17-11-7-4-8-12-17)13-18(24-25)16-9-5-3-6-10-16/h3-15H,2H2,1H3
InChIKeyUYDZBLMLDZOCQO-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.39
Rot. Bonds5

About 4-(3,5-diphenylpyrazol-1-yl)-6-ethoxypyrimidine

4-(3,5-diphenylpyrazol-1-yl)-6-ethoxypyrimidine (PubChem CID 748602) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-(3,5-diphenylpyrazol-1-yl)-6-ethoxypyrimidine.

Molecular Properties

Compound Name4-(3,5-diphenylpyrazol-1-yl)-6-ethoxypyrimidine
PubChem CID748602
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name4-(3,5-diphenylpyrazol-1-yl)-6-ethoxypyrimidine
SMILESCCOc1cc(-n2nc(-c3ccccc3)cc2-c2ccccc2)ncn1
InChIInChI=1S/C21H18N4O/c1-2-26-21-14-20(22-15-23-21)25-19(17-11-7-4-8-12-17)13-18(24-25)16-9-5-3-6-10-16/h3-15H,2H2,1H3
InChIKeyUYDZBLMLDZOCQO-UHFFFAOYSA-N
XLogP4.39
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-diphenylpyrazol-1-yl)-6-ethoxypyrimidine?
The IUPAC name of 4-(3,5-diphenylpyrazol-1-yl)-6-ethoxypyrimidine (CID 748602) is 4-(3,5-diphenylpyrazol-1-yl)-6-ethoxypyrimidine.
What is the SMILES notation for 4-(3,5-diphenylpyrazol-1-yl)-6-ethoxypyrimidine?
The canonical SMILES for 4-(3,5-diphenylpyrazol-1-yl)-6-ethoxypyrimidine is CCOc1cc(-n2nc(-c3ccccc3)cc2-c2ccccc2)ncn1.
What is the InChIKey of 4-(3,5-diphenylpyrazol-1-yl)-6-ethoxypyrimidine?
The InChIKey is UYDZBLMLDZOCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-2-26-21-14-20(22-15-23-21)25-19(17-11-7-4-8-12-17)13-18(24-25)16-9-5-3-6-10-16/h3-15H,2H2,1H3.
What are the key properties of 4-(3,5-diphenylpyrazol-1-yl)-6-ethoxypyrimidine?
4-(3,5-diphenylpyrazol-1-yl)-6-ethoxypyrimidine has a molecular weight of 342.40 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-diphenylpyrazol-1-yl)-6-ethoxypyrimidine is sourced from PubChem (CID 748602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).