cyclobutyl-(4-pyrazolo[1,5-a]pyrimidin-6-ylphenyl)methanol

C17H17N3O — CID 136553203

IUPACcyclobutyl-(4-pyrazolo[1,5-a]pyrimidin-6-ylphenyl)methanol
SMILESOC(c1ccc(-c2cnc3ccnn3c2)cc1)C1CCC1
InChIInChI=1S/C17H17N3O/c21-17(13-2-1-3-13)14-6-4-12(5-7-14)15-10-18-16-8-9-19-20(16)11-15/h4-11,13,17,21H,1-3H2
InChIKeyLENAPBMWHVMNMN-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.23
Rot. Bonds3

About cyclobutyl-(4-pyrazolo[1,5-a]pyrimidin-6-ylphenyl)methanol

cyclobutyl-(4-pyrazolo[1,5-a]pyrimidin-6-ylphenyl)methanol (PubChem CID 136553203) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is cyclobutyl-(4-pyrazolo[1,5-a]pyrimidin-6-ylphenyl)methanol.

Molecular Properties

Compound Namecyclobutyl-(4-pyrazolo[1,5-a]pyrimidin-6-ylphenyl)methanol
PubChem CID136553203
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Namecyclobutyl-(4-pyrazolo[1,5-a]pyrimidin-6-ylphenyl)methanol
SMILESOC(c1ccc(-c2cnc3ccnn3c2)cc1)C1CCC1
InChIInChI=1S/C17H17N3O/c21-17(13-2-1-3-13)14-6-4-12(5-7-14)15-10-18-16-8-9-19-20(16)11-15/h4-11,13,17,21H,1-3H2
InChIKeyLENAPBMWHVMNMN-UHFFFAOYSA-N
XLogP3.23
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(6-Phenylimidazo [1,2-b]pyridazin-3-yl)phenyl] methanol
CID 126672911
[4-[6-(4-Fluorophenyl) imidazo[1,2-3]pyridazin-3-yl]phenyl] methanol
CID 135316116
[6-Phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridin-4-yl]methanol
CID 71602073
[4-[4-[3-Ethyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]phenyl]methanol
CID 137641548
[4-[4-[3-Bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]phenyl]methanol
CID 137658242
1-[4-[4-[4-(Azetidin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidin-3-yl]-1-methylpyrazol-5-yl]phenyl]ethanol
CID 156014134
[4-[3-(3-Pyridyl)imidazo [1,2-b]pyridazin-6-yl]phenyl] methanol
CID 90480158
[4-(6-Pyrimidin-5-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]methanol
CID 117769414
[4-[6-(3-Fluorophenyl) imidazo[1,2-b]pyridazin-3-yl]phenyl] methanol
CID 126672864
[4-[6-[4-(1-Aminocyclobutyl)phenyl]-7-phenylimidazo[1,2-b]pyridazin-3-yl]phenyl]methanol
CID 56644560
US10800776, Example 21
CID 132159527
2-(4-(phenethylamino)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)-1-phenylethanol
CID 11371816

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(4-pyrazolo[1,5-a]pyrimidin-6-ylphenyl)methanol?
The IUPAC name of cyclobutyl-(4-pyrazolo[1,5-a]pyrimidin-6-ylphenyl)methanol (CID 136553203) is cyclobutyl-(4-pyrazolo[1,5-a]pyrimidin-6-ylphenyl)methanol.
What is the SMILES notation for cyclobutyl-(4-pyrazolo[1,5-a]pyrimidin-6-ylphenyl)methanol?
The canonical SMILES for cyclobutyl-(4-pyrazolo[1,5-a]pyrimidin-6-ylphenyl)methanol is OC(c1ccc(-c2cnc3ccnn3c2)cc1)C1CCC1.
What is the InChIKey of cyclobutyl-(4-pyrazolo[1,5-a]pyrimidin-6-ylphenyl)methanol?
The InChIKey is LENAPBMWHVMNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c21-17(13-2-1-3-13)14-6-4-12(5-7-14)15-10-18-16-8-9-19-20(16)11-15/h4-11,13,17,21H,1-3H2.
What are the key properties of cyclobutyl-(4-pyrazolo[1,5-a]pyrimidin-6-ylphenyl)methanol?
cyclobutyl-(4-pyrazolo[1,5-a]pyrimidin-6-ylphenyl)methanol has a molecular weight of 279.34 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-(4-pyrazolo[1,5-a]pyrimidin-6-ylphenyl)methanol is sourced from PubChem (CID 136553203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).