4-chloro-2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenol

C19H14ClN3O — CID 135939559

IUPAC4-chloro-2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenol
SMILESCc1ccc(-c2cc3nccc(-c4cc(Cl)ccc4O)n3n2)cc1
InChIInChI=1S/C19H14ClN3O/c1-12-2-4-13(5-3-12)16-11-19-21-9-8-17(23(19)22-16)15-10-14(20)6-7-18(15)24/h2-11,24H,1H3
InChIKeyQJYGLJVWKJAPDT-UHFFFAOYSA-N
MW335.79 g/mol
LogP4.73
Rot. Bonds2

About 4-chloro-2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenol

4-chloro-2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenol (PubChem CID 135939559) has the molecular formula C19H14ClN3O and a molecular weight of 335.79 g/mol. Its IUPAC name is 4-chloro-2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenol.

Molecular Properties

Compound Name4-chloro-2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenol
PubChem CID135939559
Molecular FormulaC19H14ClN3O
Molecular Weight335.79 g/mol
Exact Mass335.08
IUPAC Name4-chloro-2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenol
SMILESCc1ccc(-c2cc3nccc(-c4cc(Cl)ccc4O)n3n2)cc1
InChIInChI=1S/C19H14ClN3O/c1-12-2-4-13(5-3-12)16-11-19-21-9-8-17(23(19)22-16)15-10-14(20)6-7-18(15)24/h2-11,24H,1H3
InChIKeyQJYGLJVWKJAPDT-UHFFFAOYSA-N
XLogP4.73
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenol?
The IUPAC name of 4-chloro-2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenol (CID 135939559) is 4-chloro-2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenol.
What is the SMILES notation for 4-chloro-2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenol?
The canonical SMILES for 4-chloro-2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenol is Cc1ccc(-c2cc3nccc(-c4cc(Cl)ccc4O)n3n2)cc1.
What is the InChIKey of 4-chloro-2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenol?
The InChIKey is QJYGLJVWKJAPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O/c1-12-2-4-13(5-3-12)16-11-19-21-9-8-17(23(19)22-16)15-10-14(20)6-7-18(15)24/h2-11,24H,1H3.
What are the key properties of 4-chloro-2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenol?
4-chloro-2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenol has a molecular weight of 335.79 g/mol, XLogP of 4.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenol is sourced from PubChem (CID 135939559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).