4-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-3-yl)phenol

C20H17N3O — CID 11267034

IUPAC4-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-3-yl)phenol
SMILESCc1cc(C)n2nc(-c3ccccc3)c(-c3ccc(O)cc3)c2n1
InChIInChI=1S/C20H17N3O/c1-13-12-14(2)23-20(21-13)18(15-8-10-17(24)11-9-15)19(22-23)16-6-4-3-5-7-16/h3-12,24H,1-2H3
InChIKeyYJFGBIKADCUSPE-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.39
Rot. Bonds2

About 4-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-3-yl)phenol

4-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-3-yl)phenol (PubChem CID 11267034) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 4-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-3-yl)phenol.

Molecular Properties

Compound Name4-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-3-yl)phenol
PubChem CID11267034
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name4-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-3-yl)phenol
SMILESCc1cc(C)n2nc(-c3ccccc3)c(-c3ccc(O)cc3)c2n1
InChIInChI=1S/C20H17N3O/c1-13-12-14(2)23-20(21-13)18(15-8-10-17(24)11-9-15)19(22-23)16-6-4-3-5-7-16/h3-12,24H,1-2H3
InChIKeyYJFGBIKADCUSPE-UHFFFAOYSA-N
XLogP4.39
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
3-(4-Azanyl-1-propan-2-YL-pyrazolo(3,4-D)pyrimidin-3-YL)phenol
CID 24905143
4,4'-(5,7-Bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2,3-diyl)diphenol
CID 135457889
2-(4-Methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 754731
4-(2-{4-[2-(Dimethylamino)ethoxy]phenyl}-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol
CID 16103245
4-[3-Phenyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenol
CID 135409570
4-(3-{4-[2-(Dimethylamino)ethoxy]phenyl}-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl)phenol
CID 135547715
4-((6-Phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl)phenol
CID 24901698
4-[6-Hydroxy-3-(4-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-2(1H)-ylidene]cyclohexa-2,5-dien-1-one
CID 135678114
3-((4-amino-1-tert-butyl-1H-pyrazolo(3,4-d)pyrimidin-3-yl)methyl)phenol
CID 16750071
3-(2-Methoxyphenyl)-2,5-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine
CID 977660

Frequently Asked Questions

What is the IUPAC name of 4-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-3-yl)phenol?
The IUPAC name of 4-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-3-yl)phenol (CID 11267034) is 4-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-3-yl)phenol.
What is the SMILES notation for 4-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-3-yl)phenol?
The canonical SMILES for 4-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-3-yl)phenol is Cc1cc(C)n2nc(-c3ccccc3)c(-c3ccc(O)cc3)c2n1.
What is the InChIKey of 4-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-3-yl)phenol?
The InChIKey is YJFGBIKADCUSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c1-13-12-14(2)23-20(21-13)18(15-8-10-17(24)11-9-15)19(22-23)16-6-4-3-5-7-16/h3-12,24H,1-2H3.
What are the key properties of 4-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-3-yl)phenol?
4-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-3-yl)phenol has a molecular weight of 315.38 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-3-yl)phenol is sourced from PubChem (CID 11267034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).