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

C22H20N4O — CID 2854053

IUPAC2-[2-(3,5-dimethylpyrazol-1-yl)-6-(4-methylphenyl)pyrimidin-4-yl]phenol
SMILESCc1ccc(-c2cc(-c3ccccc3O)nc(-n3nc(C)cc3C)n2)cc1
InChIInChI=1S/C22H20N4O/c1-14-8-10-17(11-9-14)19-13-20(18-6-4-5-7-21(18)27)24-22(23-19)26-16(3)12-15(2)25-26/h4-13,27H,1-3H3
InChIKeyCBKHZNMGYZYPLD-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.63
Rot. Bonds3

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

2-[2-(3,5-dimethylpyrazol-1-yl)-6-(4-methylphenyl)pyrimidin-4-yl]phenol (PubChem CID 2854053) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-[2-(3,5-dimethylpyrazol-1-yl)-6-(4-methylphenyl)pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name2-[2-(3,5-dimethylpyrazol-1-yl)-6-(4-methylphenyl)pyrimidin-4-yl]phenol
PubChem CID2854053
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name2-[2-(3,5-dimethylpyrazol-1-yl)-6-(4-methylphenyl)pyrimidin-4-yl]phenol
SMILESCc1ccc(-c2cc(-c3ccccc3O)nc(-n3nc(C)cc3C)n2)cc1
InChIInChI=1S/C22H20N4O/c1-14-8-10-17(11-9-14)19-13-20(18-6-4-5-7-21(18)27)24-22(23-19)26-16(3)12-15(2)25-26/h4-13,27H,1-3H3
InChIKeyCBKHZNMGYZYPLD-UHFFFAOYSA-N
XLogP4.63
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(3,5-dimethylpyrazol-1-yl)-6-phenylpyrimidin-4-yl]phenol
CID 137062038
2-(3,5-dimethylpyrazol-1-yl)-4-(4-methoxyphenyl)-6-phenylpyrimidine
CID 1070777
2-(3,5-dimethylpyrazol-1-yl)phenol
CID 761553
N-[6-[3-(cyanomethyl)phenyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide
CID 44589799
carbonic acid;2-(3,5-dimethylpyrazol-1-yl)phenol
CID 118510416
4-[4,6-bis(3,5-dimethylpyrazol-1-yl)-1,3,5-triazin-2-yl]-N,N-diethylaniline
CID 46220133
2-[6-(4-bromophenyl)-2-morpholin-4-ylpyrimidin-4-yl]phenol
CID 1110902
1-(3,5-dimethylpyrazol-1-yl)-4-(4-methylphenyl)phthalazine
CID 6401162
2-(3,5-dimethylpyrazol-1-yl)pyridin-3-ol
CID 122205736
1-[6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-N-(4-methylphenyl)ethanimine
CID 101492195
1-[2-(furan-2-yl)phenyl]-3,5-dimethylpyrazole
CID 168525628
2-[3-(4-methylphenyl)phenyl]phenol
CID 123237634

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethylpyrazol-1-yl)-6-(4-methylphenyl)pyrimidin-4-yl]phenol?
The IUPAC name of 2-[2-(3,5-dimethylpyrazol-1-yl)-6-(4-methylphenyl)pyrimidin-4-yl]phenol (CID 2854053) is 2-[2-(3,5-dimethylpyrazol-1-yl)-6-(4-methylphenyl)pyrimidin-4-yl]phenol.
What is the SMILES notation for 2-[2-(3,5-dimethylpyrazol-1-yl)-6-(4-methylphenyl)pyrimidin-4-yl]phenol?
The canonical SMILES for 2-[2-(3,5-dimethylpyrazol-1-yl)-6-(4-methylphenyl)pyrimidin-4-yl]phenol is Cc1ccc(-c2cc(-c3ccccc3O)nc(-n3nc(C)cc3C)n2)cc1.
What is the InChIKey of 2-[2-(3,5-dimethylpyrazol-1-yl)-6-(4-methylphenyl)pyrimidin-4-yl]phenol?
The InChIKey is CBKHZNMGYZYPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c1-14-8-10-17(11-9-14)19-13-20(18-6-4-5-7-21(18)27)24-22(23-19)26-16(3)12-15(2)25-26/h4-13,27H,1-3H3.
What are the key properties of 2-[2-(3,5-dimethylpyrazol-1-yl)-6-(4-methylphenyl)pyrimidin-4-yl]phenol?
2-[2-(3,5-dimethylpyrazol-1-yl)-6-(4-methylphenyl)pyrimidin-4-yl]phenol has a molecular weight of 356.43 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethylpyrazol-1-yl)-6-(4-methylphenyl)pyrimidin-4-yl]phenol is sourced from PubChem (CID 2854053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).