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

C21H19N3O — CID 135540467

IUPAC4-(5,6,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-2-yl)phenol
SMILESCc1nc2c(-c3ccccc3)c(-c3ccc(O)cc3)nn2c(C)c1C
InChIInChI=1S/C21H19N3O/c1-13-14(2)22-21-19(16-7-5-4-6-8-16)20(23-24(21)15(13)3)17-9-11-18(25)12-10-17/h4-12,25H,1-3H3
InChIKeyJLWAZEGIPXHDMW-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.69
Rot. Bonds2

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

4-(5,6,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-2-yl)phenol (PubChem CID 135540467) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-(5,6,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-2-yl)phenol.

Molecular Properties

Compound Name4-(5,6,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-2-yl)phenol
PubChem CID135540467
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name4-(5,6,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-2-yl)phenol
SMILESCc1nc2c(-c3ccccc3)c(-c3ccc(O)cc3)nn2c(C)c1C
InChIInChI=1S/C21H19N3O/c1-13-14(2)22-21-19(16-7-5-4-6-8-16)20(23-24(21)15(13)3)17-9-11-18(25)12-10-17/h4-12,25H,1-3H3
InChIKeyJLWAZEGIPXHDMW-UHFFFAOYSA-N
XLogP4.69
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(5,6,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-2-yl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(5,6,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-2-yl)phenol?
The IUPAC name of 4-(5,6,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-2-yl)phenol (CID 135540467) is 4-(5,6,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-2-yl)phenol.
What is the SMILES notation for 4-(5,6,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-2-yl)phenol?
The canonical SMILES for 4-(5,6,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-2-yl)phenol is Cc1nc2c(-c3ccccc3)c(-c3ccc(O)cc3)nn2c(C)c1C.
What is the InChIKey of 4-(5,6,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-2-yl)phenol?
The InChIKey is JLWAZEGIPXHDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c1-13-14(2)22-21-19(16-7-5-4-6-8-16)20(23-24(21)15(13)3)17-9-11-18(25)12-10-17/h4-12,25H,1-3H3.
What are the key properties of 4-(5,6,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-2-yl)phenol?
4-(5,6,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-2-yl)phenol has a molecular weight of 329.40 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-2-yl)phenol is sourced from PubChem (CID 135540467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).