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

C20H15N3O2 — CID 11023968

IUPAC(2-hydroxyphenyl)-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]methanone
SMILESCc1ccc(-c2cc3ncc(C(=O)c4ccccc4O)cn3n2)cc1
InChIInChI=1S/C20H15N3O2/c1-13-6-8-14(9-7-13)17-10-19-21-11-15(12-23(19)22-17)20(25)16-4-2-3-5-18(16)24/h2-12,24H,1H3
InChIKeyRTFSRSJVGJWYEZ-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.64
Rot. Bonds3

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

(2-hydroxyphenyl)-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]methanone (PubChem CID 11023968) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is (2-hydroxyphenyl)-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]methanone.

Molecular Properties

Compound Name(2-hydroxyphenyl)-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]methanone
PubChem CID11023968
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name(2-hydroxyphenyl)-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]methanone
SMILESCc1ccc(-c2cc3ncc(C(=O)c4ccccc4O)cn3n2)cc1
InChIInChI=1S/C20H15N3O2/c1-13-6-8-14(9-7-13)17-10-19-21-11-15(12-23(19)22-17)20(25)16-4-2-3-5-18(16)24/h2-12,24H,1H3
InChIKeyRTFSRSJVGJWYEZ-UHFFFAOYSA-N
XLogP3.64
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl)-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]methanone?
The IUPAC name of (2-hydroxyphenyl)-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]methanone (CID 11023968) is (2-hydroxyphenyl)-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]methanone.
What is the SMILES notation for (2-hydroxyphenyl)-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]methanone?
The canonical SMILES for (2-hydroxyphenyl)-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]methanone is Cc1ccc(-c2cc3ncc(C(=O)c4ccccc4O)cn3n2)cc1.
What is the InChIKey of (2-hydroxyphenyl)-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]methanone?
The InChIKey is RTFSRSJVGJWYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c1-13-6-8-14(9-7-13)17-10-19-21-11-15(12-23(19)22-17)20(25)16-4-2-3-5-18(16)24/h2-12,24H,1H3.
What are the key properties of (2-hydroxyphenyl)-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]methanone?
(2-hydroxyphenyl)-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]methanone has a molecular weight of 329.36 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl)-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]methanone is sourced from PubChem (CID 11023968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).