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

C19H17N5O — CID 118708233

IUPAC4-[2-(7-amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)ethyl]phenol
SMILESNc1nc(CCc2ccc(O)cc2)nc2cn(-c3ccccc3)nc12
InChIInChI=1S/C19H17N5O/c20-19-18-16(12-24(23-18)14-4-2-1-3-5-14)21-17(22-19)11-8-13-6-9-15(25)10-7-13/h1-7,9-10,12,25H,8,11H2,(H2,20,21,22)
InChIKeyNNGWGTIFJWXIKE-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.89
Rot. Bonds4

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

4-[2-(7-amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)ethyl]phenol (PubChem CID 118708233) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 4-[2-(7-amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)ethyl]phenol.

Molecular Properties

Compound Name4-[2-(7-amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)ethyl]phenol
PubChem CID118708233
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name4-[2-(7-amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)ethyl]phenol
SMILESNc1nc(CCc2ccc(O)cc2)nc2cn(-c3ccccc3)nc12
InChIInChI=1S/C19H17N5O/c20-19-18-16(12-24(23-18)14-4-2-1-3-5-14)21-17(22-19)11-8-13-6-9-15(25)10-7-13/h1-7,9-10,12,25H,8,11H2,(H2,20,21,22)
InChIKeyNNGWGTIFJWXIKE-UHFFFAOYSA-N
XLogP2.89
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(7-amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)ethyl]phenol?
The IUPAC name of 4-[2-(7-amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)ethyl]phenol (CID 118708233) is 4-[2-(7-amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)ethyl]phenol.
What is the SMILES notation for 4-[2-(7-amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)ethyl]phenol?
The canonical SMILES for 4-[2-(7-amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)ethyl]phenol is Nc1nc(CCc2ccc(O)cc2)nc2cn(-c3ccccc3)nc12.
What is the InChIKey of 4-[2-(7-amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)ethyl]phenol?
The InChIKey is NNGWGTIFJWXIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c20-19-18-16(12-24(23-18)14-4-2-1-3-5-14)21-17(22-19)11-8-13-6-9-15(25)10-7-13/h1-7,9-10,12,25H,8,11H2,(H2,20,21,22).
What are the key properties of 4-[2-(7-amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)ethyl]phenol?
4-[2-(7-amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)ethyl]phenol has a molecular weight of 331.38 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(7-amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)ethyl]phenol is sourced from PubChem (CID 118708233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).