(2-hydroxy-5-methylphenyl)-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]methanone

C21H17N3O2 — CID 44577970

IUPAC(2-hydroxy-5-methylphenyl)-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]methanone
SMILESCc1ccc(-c2cc3ncc(C(=O)c4cc(C)ccc4O)cn3n2)cc1
InChIInChI=1S/C21H17N3O2/c1-13-3-6-15(7-4-13)18-10-20-22-11-16(12-24(20)23-18)21(26)17-9-14(2)5-8-19(17)25/h3-12,25H,1-2H3
InChIKeyGZXLIOYRXHXUMU-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.95
Rot. Bonds3

About (2-hydroxy-5-methylphenyl)-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]methanone

(2-hydroxy-5-methylphenyl)-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]methanone (PubChem CID 44577970) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is (2-hydroxy-5-methylphenyl)-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]methanone.

Molecular Properties

Compound Name(2-hydroxy-5-methylphenyl)-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]methanone
PubChem CID44577970
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name(2-hydroxy-5-methylphenyl)-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]methanone
SMILESCc1ccc(-c2cc3ncc(C(=O)c4cc(C)ccc4O)cn3n2)cc1
InChIInChI=1S/C21H17N3O2/c1-13-3-6-15(7-4-13)18-10-20-22-11-16(12-24(20)23-18)21(26)17-9-14(2)5-8-19(17)25/h3-12,25H,1-2H3
InChIKeyGZXLIOYRXHXUMU-UHFFFAOYSA-N
XLogP3.95
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-5-methylphenyl)-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]methanone?
The IUPAC name of (2-hydroxy-5-methylphenyl)-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]methanone (CID 44577970) is (2-hydroxy-5-methylphenyl)-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]methanone.
What is the SMILES notation for (2-hydroxy-5-methylphenyl)-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]methanone?
The canonical SMILES for (2-hydroxy-5-methylphenyl)-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]methanone is Cc1ccc(-c2cc3ncc(C(=O)c4cc(C)ccc4O)cn3n2)cc1.
What is the InChIKey of (2-hydroxy-5-methylphenyl)-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]methanone?
The InChIKey is GZXLIOYRXHXUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-13-3-6-15(7-4-13)18-10-20-22-11-16(12-24(20)23-18)21(26)17-9-14(2)5-8-19(17)25/h3-12,25H,1-2H3.
What are the key properties of (2-hydroxy-5-methylphenyl)-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]methanone?
(2-hydroxy-5-methylphenyl)-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]methanone has a molecular weight of 343.39 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-5-methylphenyl)-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]methanone is sourced from PubChem (CID 44577970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).