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

C18H12ClN3O — CID 135939564

IUPAC4-chloro-2-(2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)phenol
SMILESOc1ccc(Cl)cc1-c1ccnc2cc(-c3ccccc3)nn12
InChIInChI=1S/C18H12ClN3O/c19-13-6-7-17(23)14(10-13)16-8-9-20-18-11-15(21-22(16)18)12-4-2-1-3-5-12/h1-11,23H
InChIKeyBZGUKYITYSDSDC-UHFFFAOYSA-N
MW321.77 g/mol
LogP4.42
Rot. Bonds2

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

4-chloro-2-(2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)phenol (PubChem CID 135939564) has the molecular formula C18H12ClN3O and a molecular weight of 321.77 g/mol. Its IUPAC name is 4-chloro-2-(2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)phenol.

Molecular Properties

Compound Name4-chloro-2-(2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)phenol
PubChem CID135939564
Molecular FormulaC18H12ClN3O
Molecular Weight321.77 g/mol
Exact Mass321.07
IUPAC Name4-chloro-2-(2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)phenol
SMILESOc1ccc(Cl)cc1-c1ccnc2cc(-c3ccccc3)nn12
InChIInChI=1S/C18H12ClN3O/c19-13-6-7-17(23)14(10-13)16-8-9-20-18-11-15(21-22(16)18)12-4-2-1-3-5-12/h1-11,23H
InChIKeyBZGUKYITYSDSDC-UHFFFAOYSA-N
XLogP4.42
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-{4-[(3-chlorophenyl)amino]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}phenol
CID 135402835
4-Chloro-2-(5-phenyl-1-(pyridin-2-yl)-4,5-dihydro-1h-pyrazol-3-yl) phenol
CID 136912371
(5-chloro-2-hydroxyphenyl)(3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl)methanone
CID 1211939
[3-[3-(3-Chlorophenyl) imidazo[1,2-b]pyridazin-6-yl]phenyl] methanol
CID 135316154
N-(3-(5-chloro-2-hydroxyphenyl)-1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136041870
7-{2-[(4-Chlorobenzyl)oxy]phenyl}[1,2,4]triazolo[1,5-a]pyrimidine
CID 3643887
(5-Chloro-2-hydroxyphenyl)-(3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridin-5-yl)methanone
CID 4827609
2-Chloro-4-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]phenol
CID 70677255
4-Chloro-5-methyl-2-(2-phenylpyrazolo[1,5-A]pyrimidin-7-YL)phenol
CID 135750240
4-Chloro-2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methylphenol
CID 135750242
4-Chloro-3-[[1-(2-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenol
CID 145980843
3-[[6-(2-Aminoethylamino)-1-(2-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-chlorophenol
CID 145989362

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)phenol?
The IUPAC name of 4-chloro-2-(2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)phenol (CID 135939564) is 4-chloro-2-(2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)phenol.
What is the SMILES notation for 4-chloro-2-(2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)phenol?
The canonical SMILES for 4-chloro-2-(2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)phenol is Oc1ccc(Cl)cc1-c1ccnc2cc(-c3ccccc3)nn12.
What is the InChIKey of 4-chloro-2-(2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)phenol?
The InChIKey is BZGUKYITYSDSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O/c19-13-6-7-17(23)14(10-13)16-8-9-20-18-11-15(21-22(16)18)12-4-2-1-3-5-12/h1-11,23H.
What are the key properties of 4-chloro-2-(2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)phenol?
4-chloro-2-(2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)phenol has a molecular weight of 321.77 g/mol, XLogP of 4.42, 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-phenylpyrazolo[1,5-a]pyrimidin-7-yl)phenol is sourced from PubChem (CID 135939564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).