3-[(7-amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)methyl]phenol

C18H15N5O — CID 118708228

IUPAC3-[(7-amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)methyl]phenol
SMILESNc1nc(Cc2cccc(O)c2)nc2cn(-c3ccccc3)nc12
InChIInChI=1S/C18H15N5O/c19-18-17-15(11-23(22-17)13-6-2-1-3-7-13)20-16(21-18)10-12-5-4-8-14(24)9-12/h1-9,11,24H,10H2,(H2,19,20,21)
InChIKeyHBCWGZIBWZBFED-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.69
Rot. Bonds3

About 3-[(7-amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)methyl]phenol

3-[(7-amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)methyl]phenol (PubChem CID 118708228) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is 3-[(7-amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)methyl]phenol.

Molecular Properties

Compound Name3-[(7-amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)methyl]phenol
PubChem CID118708228
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name3-[(7-amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)methyl]phenol
SMILESNc1nc(Cc2cccc(O)c2)nc2cn(-c3ccccc3)nc12
InChIInChI=1S/C18H15N5O/c19-18-17-15(11-23(22-17)13-6-2-1-3-7-13)20-16(21-18)10-12-5-4-8-14(24)9-12/h1-9,11,24H,10H2,(H2,19,20,21)
InChIKeyHBCWGZIBWZBFED-UHFFFAOYSA-N
XLogP2.69
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 46880075
3-(7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol
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Frequently Asked Questions

What is the IUPAC name of 3-[(7-amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)methyl]phenol?
The IUPAC name of 3-[(7-amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)methyl]phenol (CID 118708228) is 3-[(7-amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)methyl]phenol.
What is the SMILES notation for 3-[(7-amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)methyl]phenol?
The canonical SMILES for 3-[(7-amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)methyl]phenol is Nc1nc(Cc2cccc(O)c2)nc2cn(-c3ccccc3)nc12.
What is the InChIKey of 3-[(7-amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)methyl]phenol?
The InChIKey is HBCWGZIBWZBFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c19-18-17-15(11-23(22-17)13-6-2-1-3-7-13)20-16(21-18)10-12-5-4-8-14(24)9-12/h1-9,11,24H,10H2,(H2,19,20,21).
What are the key properties of 3-[(7-amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)methyl]phenol?
3-[(7-amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)methyl]phenol has a molecular weight of 317.35 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)methyl]phenol is sourced from PubChem (CID 118708228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).