3-(1-butyl-4-methoxypyrazolo[5,4-d]pyrimidin-3-yl)phenol

C16H18N4O2 — CID 162353028

IUPAC3-(1-butyl-4-methoxypyrazolo[5,4-d]pyrimidin-3-yl)phenol
SMILESCCCCn1nc(-c2cccc(O)c2)c2c(OC)ncnc21
InChIInChI=1S/C16H18N4O2/c1-3-4-8-20-15-13(16(22-2)18-10-17-15)14(19-20)11-6-5-7-12(21)9-11/h5-7,9-10,21H,3-4,8H2,1-2H3
InChIKeyFIDCNKBXYBRYFV-UHFFFAOYSA-N
MW298.35 g/mol
LogP3.01
Rot. Bonds5

About 3-(1-butyl-4-methoxypyrazolo[5,4-d]pyrimidin-3-yl)phenol

3-(1-butyl-4-methoxypyrazolo[5,4-d]pyrimidin-3-yl)phenol (PubChem CID 162353028) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 3-(1-butyl-4-methoxypyrazolo[5,4-d]pyrimidin-3-yl)phenol.

Molecular Properties

Compound Name3-(1-butyl-4-methoxypyrazolo[5,4-d]pyrimidin-3-yl)phenol
PubChem CID162353028
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name3-(1-butyl-4-methoxypyrazolo[5,4-d]pyrimidin-3-yl)phenol
SMILESCCCCn1nc(-c2cccc(O)c2)c2c(OC)ncnc21
InChIInChI=1S/C16H18N4O2/c1-3-4-8-20-15-13(16(22-2)18-10-17-15)14(19-20)11-6-5-7-12(21)9-11/h5-7,9-10,21H,3-4,8H2,1-2H3
InChIKeyFIDCNKBXYBRYFV-UHFFFAOYSA-N
XLogP3.01
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-butyl-4-methoxypyrazolo[5,4-d]pyrimidin-3-yl)phenol?
The IUPAC name of 3-(1-butyl-4-methoxypyrazolo[5,4-d]pyrimidin-3-yl)phenol (CID 162353028) is 3-(1-butyl-4-methoxypyrazolo[5,4-d]pyrimidin-3-yl)phenol.
What is the SMILES notation for 3-(1-butyl-4-methoxypyrazolo[5,4-d]pyrimidin-3-yl)phenol?
The canonical SMILES for 3-(1-butyl-4-methoxypyrazolo[5,4-d]pyrimidin-3-yl)phenol is CCCCn1nc(-c2cccc(O)c2)c2c(OC)ncnc21.
What is the InChIKey of 3-(1-butyl-4-methoxypyrazolo[5,4-d]pyrimidin-3-yl)phenol?
The InChIKey is FIDCNKBXYBRYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-3-4-8-20-15-13(16(22-2)18-10-17-15)14(19-20)11-6-5-7-12(21)9-11/h5-7,9-10,21H,3-4,8H2,1-2H3.
What are the key properties of 3-(1-butyl-4-methoxypyrazolo[5,4-d]pyrimidin-3-yl)phenol?
3-(1-butyl-4-methoxypyrazolo[5,4-d]pyrimidin-3-yl)phenol has a molecular weight of 298.35 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-butyl-4-methoxypyrazolo[5,4-d]pyrimidin-3-yl)phenol is sourced from PubChem (CID 162353028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).