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

C20H19N5O — CID 118708239

IUPAC3-[3-(7-amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)propyl]phenol
SMILESNc1nc(CCCc2cccc(O)c2)nc2cn(-c3ccccc3)nc12
InChIInChI=1S/C20H19N5O/c21-20-19-17(13-25(24-19)15-8-2-1-3-9-15)22-18(23-20)11-5-7-14-6-4-10-16(26)12-14/h1-4,6,8-10,12-13,26H,5,7,11H2,(H2,21,22,23)
InChIKeySHQKGVUFKLDRQI-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.28
Rot. Bonds5

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

3-[3-(7-amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)propyl]phenol (PubChem CID 118708239) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 3-[3-(7-amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)propyl]phenol.

Molecular Properties

Compound Name3-[3-(7-amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)propyl]phenol
PubChem CID118708239
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name3-[3-(7-amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)propyl]phenol
SMILESNc1nc(CCCc2cccc(O)c2)nc2cn(-c3ccccc3)nc12
InChIInChI=1S/C20H19N5O/c21-20-19-17(13-25(24-19)15-8-2-1-3-9-15)22-18(23-20)11-5-7-14-6-4-10-16(26)12-14/h1-4,6,8-10,12-13,26H,5,7,11H2,(H2,21,22,23)
InChIKeySHQKGVUFKLDRQI-UHFFFAOYSA-N
XLogP3.28
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

AP-23464
CID 9934643
RP107
CID 448912
3-(4-Azanyl-1-propan-2-YL-pyrazolo(3,4-D)pyrimidin-3-YL)phenol
CID 24905143
4-[[6-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-B][1,2,4]triazin-3-Yl]methyl]phenol
CID 11324689
3-(2,4-Diaminopteridin-6-yl)phenol
CID 17751063
3-((5-((4-aminopiperidin-1-yl)methyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl)amino)-5-(2-isopropyl-2H-tetrazol-5-yl)phenol
CID 118009188
4-{5H-pyrrolo[2,3-b]pyrazin-6-yl}phenol
CID 135433406
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 28
CID 135434952
(S)-2-(3-(3-hydroxy-5-methylphenyl)-4-(6-(2-hydroxypropylamino)-2-(pyridin-3-yl)pyrimidin-4-yl)-1H-pyrazol-1-yl)acetonitrile
CID 44517769
3-(7-(4-((1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol
CID 46880075
4-{2-amino-1-methyl-1H-imidazo[4,5-b]pyridin-6-yl}phenol
CID 15897928
4-{2-[(6-Methyl[1,2,4]triazolo[4,3-B]pyridazin-8-Yl)amino]ethyl}phenol
CID 86276157

Frequently Asked Questions

What is the IUPAC name of 3-[3-(7-amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)propyl]phenol?
The IUPAC name of 3-[3-(7-amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)propyl]phenol (CID 118708239) is 3-[3-(7-amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)propyl]phenol.
What is the SMILES notation for 3-[3-(7-amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)propyl]phenol?
The canonical SMILES for 3-[3-(7-amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)propyl]phenol is Nc1nc(CCCc2cccc(O)c2)nc2cn(-c3ccccc3)nc12.
What is the InChIKey of 3-[3-(7-amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)propyl]phenol?
The InChIKey is SHQKGVUFKLDRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c21-20-19-17(13-25(24-19)15-8-2-1-3-9-15)22-18(23-20)11-5-7-14-6-4-10-16(26)12-14/h1-4,6,8-10,12-13,26H,5,7,11H2,(H2,21,22,23).
What are the key properties of 3-[3-(7-amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)propyl]phenol?
3-[3-(7-amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)propyl]phenol has a molecular weight of 345.41 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(7-amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)propyl]phenol is sourced from PubChem (CID 118708239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).