4-[2-(3,5-dimethylpyrazol-1-yl)-6-phenylpyrimidin-4-yl]phenol

C21H18N4O — CID 137062038

IUPAC4-[2-(3,5-dimethylpyrazol-1-yl)-6-phenylpyrimidin-4-yl]phenol
SMILESCc1cc(C)n(-c2nc(-c3ccccc3)cc(-c3ccc(O)cc3)n2)n1
InChIInChI=1S/C21H18N4O/c1-14-12-15(2)25(24-14)21-22-19(16-6-4-3-5-7-16)13-20(23-21)17-8-10-18(26)11-9-17/h3-13,26H,1-2H3
InChIKeyBACRFTUQIZANFW-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.32
Rot. Bonds3

About 4-[2-(3,5-dimethylpyrazol-1-yl)-6-phenylpyrimidin-4-yl]phenol

4-[2-(3,5-dimethylpyrazol-1-yl)-6-phenylpyrimidin-4-yl]phenol (PubChem CID 137062038) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-[2-(3,5-dimethylpyrazol-1-yl)-6-phenylpyrimidin-4-yl]phenol.

Molecular Properties

Compound Name4-[2-(3,5-dimethylpyrazol-1-yl)-6-phenylpyrimidin-4-yl]phenol
PubChem CID137062038
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name4-[2-(3,5-dimethylpyrazol-1-yl)-6-phenylpyrimidin-4-yl]phenol
SMILESCc1cc(C)n(-c2nc(-c3ccccc3)cc(-c3ccc(O)cc3)n2)n1
InChIInChI=1S/C21H18N4O/c1-14-12-15(2)25(24-14)21-22-19(16-6-4-3-5-7-16)13-20(23-21)17-8-10-18(26)11-9-17/h3-13,26H,1-2H3
InChIKeyBACRFTUQIZANFW-UHFFFAOYSA-N
XLogP4.32
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,5-dimethylpyrazol-1-yl)-6-phenylpyrimidin-4-yl]phenol?
The IUPAC name of 4-[2-(3,5-dimethylpyrazol-1-yl)-6-phenylpyrimidin-4-yl]phenol (CID 137062038) is 4-[2-(3,5-dimethylpyrazol-1-yl)-6-phenylpyrimidin-4-yl]phenol.
What is the SMILES notation for 4-[2-(3,5-dimethylpyrazol-1-yl)-6-phenylpyrimidin-4-yl]phenol?
The canonical SMILES for 4-[2-(3,5-dimethylpyrazol-1-yl)-6-phenylpyrimidin-4-yl]phenol is Cc1cc(C)n(-c2nc(-c3ccccc3)cc(-c3ccc(O)cc3)n2)n1.
What is the InChIKey of 4-[2-(3,5-dimethylpyrazol-1-yl)-6-phenylpyrimidin-4-yl]phenol?
The InChIKey is BACRFTUQIZANFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-14-12-15(2)25(24-14)21-22-19(16-6-4-3-5-7-16)13-20(23-21)17-8-10-18(26)11-9-17/h3-13,26H,1-2H3.
What are the key properties of 4-[2-(3,5-dimethylpyrazol-1-yl)-6-phenylpyrimidin-4-yl]phenol?
4-[2-(3,5-dimethylpyrazol-1-yl)-6-phenylpyrimidin-4-yl]phenol has a molecular weight of 342.40 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,5-dimethylpyrazol-1-yl)-6-phenylpyrimidin-4-yl]phenol is sourced from PubChem (CID 137062038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).