3-[3-(4-hydroxyphenyl)-5,6,7-trimethylpyrazolo[1,5-a]pyrimidin-2-yl]phenol

C21H19N3O2 — CID 11198761

IUPAC3-[3-(4-hydroxyphenyl)-5,6,7-trimethylpyrazolo[1,5-a]pyrimidin-2-yl]phenol
SMILESCc1nc2c(-c3ccc(O)cc3)c(-c3cccc(O)c3)nn2c(C)c1C
InChIInChI=1S/C21H19N3O2/c1-12-13(2)22-21-19(15-7-9-17(25)10-8-15)20(23-24(21)14(12)3)16-5-4-6-18(26)11-16/h4-11,25-26H,1-3H3
InChIKeyMKEZPMZNRSTNJQ-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.40
Rot. Bonds2

About 3-[3-(4-hydroxyphenyl)-5,6,7-trimethylpyrazolo[1,5-a]pyrimidin-2-yl]phenol

3-[3-(4-hydroxyphenyl)-5,6,7-trimethylpyrazolo[1,5-a]pyrimidin-2-yl]phenol (PubChem CID 11198761) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 3-[3-(4-hydroxyphenyl)-5,6,7-trimethylpyrazolo[1,5-a]pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name3-[3-(4-hydroxyphenyl)-5,6,7-trimethylpyrazolo[1,5-a]pyrimidin-2-yl]phenol
PubChem CID11198761
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name3-[3-(4-hydroxyphenyl)-5,6,7-trimethylpyrazolo[1,5-a]pyrimidin-2-yl]phenol
SMILESCc1nc2c(-c3ccc(O)cc3)c(-c3cccc(O)c3)nn2c(C)c1C
InChIInChI=1S/C21H19N3O2/c1-12-13(2)22-21-19(15-7-9-17(25)10-8-15)20(23-24(21)14(12)3)16-5-4-6-18(26)11-16/h4-11,25-26H,1-3H3
InChIKeyMKEZPMZNRSTNJQ-UHFFFAOYSA-N
XLogP4.40
TPSA70.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-hydroxyphenyl)-5,6,7-trimethylpyrazolo[1,5-a]pyrimidin-2-yl]phenol?
The IUPAC name of 3-[3-(4-hydroxyphenyl)-5,6,7-trimethylpyrazolo[1,5-a]pyrimidin-2-yl]phenol (CID 11198761) is 3-[3-(4-hydroxyphenyl)-5,6,7-trimethylpyrazolo[1,5-a]pyrimidin-2-yl]phenol.
What is the SMILES notation for 3-[3-(4-hydroxyphenyl)-5,6,7-trimethylpyrazolo[1,5-a]pyrimidin-2-yl]phenol?
The canonical SMILES for 3-[3-(4-hydroxyphenyl)-5,6,7-trimethylpyrazolo[1,5-a]pyrimidin-2-yl]phenol is Cc1nc2c(-c3ccc(O)cc3)c(-c3cccc(O)c3)nn2c(C)c1C.
What is the InChIKey of 3-[3-(4-hydroxyphenyl)-5,6,7-trimethylpyrazolo[1,5-a]pyrimidin-2-yl]phenol?
The InChIKey is MKEZPMZNRSTNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-12-13(2)22-21-19(15-7-9-17(25)10-8-15)20(23-24(21)14(12)3)16-5-4-6-18(26)11-16/h4-11,25-26H,1-3H3.
What are the key properties of 3-[3-(4-hydroxyphenyl)-5,6,7-trimethylpyrazolo[1,5-a]pyrimidin-2-yl]phenol?
3-[3-(4-hydroxyphenyl)-5,6,7-trimethylpyrazolo[1,5-a]pyrimidin-2-yl]phenol has a molecular weight of 345.40 g/mol, XLogP of 4.40, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-hydroxyphenyl)-5,6,7-trimethylpyrazolo[1,5-a]pyrimidin-2-yl]phenol is sourced from PubChem (CID 11198761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).