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

C20H19N5O — CID 118708240

IUPAC4-[3-(7-amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)propyl]phenol
SMILESNc1nc(CCCc2ccc(O)cc2)nc2cn(-c3ccccc3)nc12
InChIInChI=1S/C20H19N5O/c21-20-19-17(13-25(24-19)15-6-2-1-3-7-15)22-18(23-20)8-4-5-14-9-11-16(26)12-10-14/h1-3,6-7,9-13,26H,4-5,8H2,(H2,21,22,23)
InChIKeyOOMFSONRFBINNP-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.28
Rot. Bonds5

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

4-[3-(7-amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)propyl]phenol (PubChem CID 118708240) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 4-[3-(7-amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)propyl]phenol.

Molecular Properties

Compound Name4-[3-(7-amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)propyl]phenol
PubChem CID118708240
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name4-[3-(7-amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)propyl]phenol
SMILESNc1nc(CCCc2ccc(O)cc2)nc2cn(-c3ccccc3)nc12
InChIInChI=1S/C20H19N5O/c21-20-19-17(13-25(24-19)15-6-2-1-3-7-15)22-18(23-20)8-4-5-14-9-11-16(26)12-10-14/h1-3,6-7,9-13,26H,4-5,8H2,(H2,21,22,23)
InChIKeyOOMFSONRFBINNP-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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Frequently Asked Questions

What is the IUPAC name of 4-[3-(7-amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)propyl]phenol?
The IUPAC name of 4-[3-(7-amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)propyl]phenol (CID 118708240) is 4-[3-(7-amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)propyl]phenol.
What is the SMILES notation for 4-[3-(7-amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)propyl]phenol?
The canonical SMILES for 4-[3-(7-amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)propyl]phenol is Nc1nc(CCCc2ccc(O)cc2)nc2cn(-c3ccccc3)nc12.
What is the InChIKey of 4-[3-(7-amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)propyl]phenol?
The InChIKey is OOMFSONRFBINNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c21-20-19-17(13-25(24-19)15-6-2-1-3-7-15)22-18(23-20)8-4-5-14-9-11-16(26)12-10-14/h1-3,6-7,9-13,26H,4-5,8H2,(H2,21,22,23).
What are the key properties of 4-[3-(7-amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)propyl]phenol?
4-[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 4-[3-(7-amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)propyl]phenol is sourced from PubChem (CID 118708240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).