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

C21H18N4O — CID 796234

IUPAC2-[2-(3,5-dimethylpyrazol-1-yl)-6-phenylpyrimidin-4-yl]phenol
SMILESCc1cc(C)n(-c2nc(-c3ccccc3)cc(-c3ccccc3O)n2)n1
InChIInChI=1S/C21H18N4O/c1-14-12-15(2)25(24-14)21-22-18(16-8-4-3-5-9-16)13-19(23-21)17-10-6-7-11-20(17)26/h3-13,26H,1-2H3
InChIKeyMJZPVJAZGCSQSL-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.32
Rot. Bonds3

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

2-[2-(3,5-dimethylpyrazol-1-yl)-6-phenylpyrimidin-4-yl]phenol (PubChem CID 796234) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-[2-(3,5-dimethylpyrazol-1-yl)-6-phenylpyrimidin-4-yl]phenol.

Molecular Properties

Compound Name2-[2-(3,5-dimethylpyrazol-1-yl)-6-phenylpyrimidin-4-yl]phenol
PubChem CID796234
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name2-[2-(3,5-dimethylpyrazol-1-yl)-6-phenylpyrimidin-4-yl]phenol
SMILESCc1cc(C)n(-c2nc(-c3ccccc3)cc(-c3ccccc3O)n2)n1
InChIInChI=1S/C21H18N4O/c1-14-12-15(2)25(24-14)21-22-18(16-8-4-3-5-9-16)13-19(23-21)17-10-6-7-11-20(17)26/h3-13,26H,1-2H3
InChIKeyMJZPVJAZGCSQSL-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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Related Compounds

Phtpp
CID 11201035
4-((6-Phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl)phenol
CID 24901696
4,4'-(5,7-Bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2,3-diyl)diphenol
CID 135457889
4-[6-(4-Hydroxyphenyl)-2-phenylpyrimidin-4-yl]phenol
CID 789621
4-[3-Phenyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenol
CID 135409570
1-(4-Hydroxyphenyl)ethanone (4-methyl-6-phenyl-2-pyrimidinyl)hydrazone
CID 135458773
2-(2-Amino-6-phenylpyrimidin-4-yl)phenol
CID 359838
4-Difluoromethyl-2-(3,5-dimethyl-pyrazol-1-yl)-6-(4-methoxy-phenyl)-pyrimidine
CID 651086
2-(3-methyl-1-phenyl-1H-1,2,4-triazol-5-yl)phenol
CID 2305193
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(3-hydroxyphenyl)pyrimidin-4-yl)acetamide
CID 44589889
4-(5-Butyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-phenol
CID 135738656
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(2-hydroxyphenyl)pyrimidin-4-yl)acetamide
CID 136117757

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethylpyrazol-1-yl)-6-phenylpyrimidin-4-yl]phenol?
The IUPAC name of 2-[2-(3,5-dimethylpyrazol-1-yl)-6-phenylpyrimidin-4-yl]phenol (CID 796234) is 2-[2-(3,5-dimethylpyrazol-1-yl)-6-phenylpyrimidin-4-yl]phenol.
What is the SMILES notation for 2-[2-(3,5-dimethylpyrazol-1-yl)-6-phenylpyrimidin-4-yl]phenol?
The canonical SMILES for 2-[2-(3,5-dimethylpyrazol-1-yl)-6-phenylpyrimidin-4-yl]phenol is Cc1cc(C)n(-c2nc(-c3ccccc3)cc(-c3ccccc3O)n2)n1.
What is the InChIKey of 2-[2-(3,5-dimethylpyrazol-1-yl)-6-phenylpyrimidin-4-yl]phenol?
The InChIKey is MJZPVJAZGCSQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-14-12-15(2)25(24-14)21-22-18(16-8-4-3-5-9-16)13-19(23-21)17-10-6-7-11-20(17)26/h3-13,26H,1-2H3.
What are the key properties of 2-[2-(3,5-dimethylpyrazol-1-yl)-6-phenylpyrimidin-4-yl]phenol?
2-[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 2-[2-(3,5-dimethylpyrazol-1-yl)-6-phenylpyrimidin-4-yl]phenol is sourced from PubChem (CID 796234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).