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

C18H15N5O — CID 127047805

IUPAC2-(7-amino-5-benzylpyrazolo[4,3-d]pyrimidin-2-yl)phenol
SMILESNc1nc(Cc2ccccc2)nc2cn(-c3ccccc3O)nc12
InChIInChI=1S/C18H15N5O/c19-18-17-13(11-23(22-17)14-8-4-5-9-15(14)24)20-16(21-18)10-12-6-2-1-3-7-12/h1-9,11,24H,10H2,(H2,19,20,21)
InChIKeyUXGWRHXMVBGXEG-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.69
Rot. Bonds3

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

2-(7-amino-5-benzylpyrazolo[4,3-d]pyrimidin-2-yl)phenol (PubChem CID 127047805) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-(7-amino-5-benzylpyrazolo[4,3-d]pyrimidin-2-yl)phenol.

Molecular Properties

Compound Name2-(7-amino-5-benzylpyrazolo[4,3-d]pyrimidin-2-yl)phenol
PubChem CID127047805
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name2-(7-amino-5-benzylpyrazolo[4,3-d]pyrimidin-2-yl)phenol
SMILESNc1nc(Cc2ccccc2)nc2cn(-c3ccccc3O)nc12
InChIInChI=1S/C18H15N5O/c19-18-17-13(11-23(22-17)14-8-4-5-9-15(14)24)20-16(21-18)10-12-6-2-1-3-7-12/h1-9,11,24H,10H2,(H2,19,20,21)
InChIKeyUXGWRHXMVBGXEG-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

Analyze 2-(7-amino-5-benzylpyrazolo[4,3-d]pyrimidin-2-yl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[6-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-B][1,2,4]triazin-3-Yl]methyl]phenol
CID 11324689
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-Hydroxy-3-(4-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-2(1H)-ylidene]cyclohexa-2,5-dien-1-one
CID 135678114
5-[3-(3-Methoxyphenyl)propyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine
CID 118708236
2-[3-(7-Amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)propyl]phenol
CID 118708238
3-[3-(7-Amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)propyl]phenol
CID 118708239
4-[(6-Phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]phenol
CID 11381132
2-(4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-ylamino)phenol
CID 44416137
3-[6-[(4-Fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol
CID 44530402
3-(10-Morpholin-4-yl-1,6,11,13-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaen-12-yl)phenol
CID 56834968
2-[4-(1-Phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]phenol
CID 72549874

Frequently Asked Questions

What is the IUPAC name of 2-(7-amino-5-benzylpyrazolo[4,3-d]pyrimidin-2-yl)phenol?
The IUPAC name of 2-(7-amino-5-benzylpyrazolo[4,3-d]pyrimidin-2-yl)phenol (CID 127047805) is 2-(7-amino-5-benzylpyrazolo[4,3-d]pyrimidin-2-yl)phenol.
What is the SMILES notation for 2-(7-amino-5-benzylpyrazolo[4,3-d]pyrimidin-2-yl)phenol?
The canonical SMILES for 2-(7-amino-5-benzylpyrazolo[4,3-d]pyrimidin-2-yl)phenol is Nc1nc(Cc2ccccc2)nc2cn(-c3ccccc3O)nc12.
What is the InChIKey of 2-(7-amino-5-benzylpyrazolo[4,3-d]pyrimidin-2-yl)phenol?
The InChIKey is UXGWRHXMVBGXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c19-18-17-13(11-23(22-17)14-8-4-5-9-15(14)24)20-16(21-18)10-12-6-2-1-3-7-12/h1-9,11,24H,10H2,(H2,19,20,21).
What are the key properties of 2-(7-amino-5-benzylpyrazolo[4,3-d]pyrimidin-2-yl)phenol?
2-(7-amino-5-benzylpyrazolo[4,3-d]pyrimidin-2-yl)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 2-(7-amino-5-benzylpyrazolo[4,3-d]pyrimidin-2-yl)phenol is sourced from PubChem (CID 127047805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).