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

C18H15N5O — CID 118708229

IUPAC4-[(7-amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)methyl]phenol
SMILESNc1nc(Cc2ccc(O)cc2)nc2cn(-c3ccccc3)nc12
InChIInChI=1S/C18H15N5O/c19-18-17-15(11-23(22-17)13-4-2-1-3-5-13)20-16(21-18)10-12-6-8-14(24)9-7-12/h1-9,11,24H,10H2,(H2,19,20,21)
InChIKeySXHGVJBWLPBODI-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.69
Rot. Bonds3

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

4-[(7-amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)methyl]phenol (PubChem CID 118708229) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is 4-[(7-amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(7-amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)methyl]phenol
PubChem CID118708229
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name4-[(7-amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)methyl]phenol
SMILESNc1nc(Cc2ccc(O)cc2)nc2cn(-c3ccccc3)nc12
InChIInChI=1S/C18H15N5O/c19-18-17-15(11-23(22-17)13-4-2-1-3-5-13)20-16(21-18)10-12-6-8-14(24)9-7-12/h1-9,11,24H,10H2,(H2,19,20,21)
InChIKeySXHGVJBWLPBODI-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

RP107
CID 448912
4-((6-Phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl)phenol
CID 24901696
4-[[6-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-B][1,2,4]triazin-3-Yl]methyl]phenol
CID 11324689
4-{5H-pyrrolo[2,3-b]pyrazin-6-yl}phenol
CID 135433406
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 28
CID 135434952
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
3-{5H-pyrrolo[2,3-b]pyrazin-6-yl}phenol
CID 6538769
4-((6-Phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl)phenol
CID 24901698
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 11
CID 135434951
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 33
CID 135434953
Phenol, 4-(2,4-diamino-6-pteridinyl)-
CID 135492341

Frequently Asked Questions

What is the IUPAC name of 4-[(7-amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)methyl]phenol?
The IUPAC name of 4-[(7-amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)methyl]phenol (CID 118708229) is 4-[(7-amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)methyl]phenol.
What is the SMILES notation for 4-[(7-amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)methyl]phenol?
The canonical SMILES for 4-[(7-amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)methyl]phenol is Nc1nc(Cc2ccc(O)cc2)nc2cn(-c3ccccc3)nc12.
What is the InChIKey of 4-[(7-amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)methyl]phenol?
The InChIKey is SXHGVJBWLPBODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c19-18-17-15(11-23(22-17)13-4-2-1-3-5-13)20-16(21-18)10-12-6-8-14(24)9-7-12/h1-9,11,24H,10H2,(H2,19,20,21).
What are the key properties of 4-[(7-amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)methyl]phenol?
4-[(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 4-[(7-amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)methyl]phenol is sourced from PubChem (CID 118708229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).