2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-fluorophenol

C18H11ClFN3O — CID 135939571

IUPAC2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-fluorophenol
SMILESOc1ccc(F)cc1-c1ccnc2cc(-c3ccc(Cl)cc3)nn12
InChIInChI=1S/C18H11ClFN3O/c19-12-3-1-11(2-4-12)15-10-18-21-8-7-16(23(18)22-15)14-9-13(20)5-6-17(14)24/h1-10,24H
InChIKeyOWVNCFSAVHEHQG-UHFFFAOYSA-N
MW339.76 g/mol
LogP4.56
Rot. Bonds2

About 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-fluorophenol

2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-fluorophenol (PubChem CID 135939571) has the molecular formula C18H11ClFN3O and a molecular weight of 339.76 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-fluorophenol.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-fluorophenol
PubChem CID135939571
Molecular FormulaC18H11ClFN3O
Molecular Weight339.76 g/mol
Exact Mass339.06
IUPAC Name2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-fluorophenol
SMILESOc1ccc(F)cc1-c1ccnc2cc(-c3ccc(Cl)cc3)nn12
InChIInChI=1S/C18H11ClFN3O/c19-12-3-1-11(2-4-12)15-10-18-21-8-7-16(23(18)22-15)14-9-13(20)5-6-17(14)24/h1-10,24H
InChIKeyOWVNCFSAVHEHQG-UHFFFAOYSA-N
XLogP4.56
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.76
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Bisanilinopyrimidine, 12c
CID 136226786
2-Chloro-5-(7-(8-ethyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(pyridin-4-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidin-3-yl)phenol
CID 44226028
6-(4-Chlorophenyl)-4-(2-hydroxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
CID 156207638
4-[4-(4-Chlorophenyl)-2-pyrimidinyl]benzenol
CID 1475109
7-{2-[(4-Chlorobenzyl)oxy]phenyl}[1,2,4]triazolo[1,5-a]pyrimidine
CID 3643887
2-(4-chlorophenyl)-10-methyl-6H-chromeno[3,4-e]pyrazolo[1,5-a]pyrimidine
CID 17757036
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-chloro-2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenol
CID 145991326
2-[5-Chloro-3-methyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridin-6-yl]-4-methylphenol
CID 162648003
2-Ethyl-3-(4-fluorophenyl)-7-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 8072834

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-fluorophenol?
The IUPAC name of 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-fluorophenol (CID 135939571) is 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-fluorophenol.
What is the SMILES notation for 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-fluorophenol?
The canonical SMILES for 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-fluorophenol is Oc1ccc(F)cc1-c1ccnc2cc(-c3ccc(Cl)cc3)nn12.
What is the InChIKey of 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-fluorophenol?
The InChIKey is OWVNCFSAVHEHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClFN3O/c19-12-3-1-11(2-4-12)15-10-18-21-8-7-16(23(18)22-15)14-9-13(20)5-6-17(14)24/h1-10,24H.
What are the key properties of 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-fluorophenol?
2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-fluorophenol has a molecular weight of 339.76 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-fluorophenol is sourced from PubChem (CID 135939571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).