4-methoxy-1-phenylpyrazolo[5,4-d]pyrimidine

C12H10N4O — CID 726117

IUPAC4-methoxy-1-phenylpyrazolo[5,4-d]pyrimidine
SMILESCOc1ncnc2c1cnn2-c1ccccc1
InChIInChI=1S/C12H10N4O/c1-17-12-10-7-15-16(11(10)13-8-14-12)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyLTPDEZYLENJCPU-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.82
Rot. Bonds2

About 4-methoxy-1-phenylpyrazolo[5,4-d]pyrimidine

4-methoxy-1-phenylpyrazolo[5,4-d]pyrimidine (PubChem CID 726117) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 4-methoxy-1-phenylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-methoxy-1-phenylpyrazolo[5,4-d]pyrimidine
PubChem CID726117
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name4-methoxy-1-phenylpyrazolo[5,4-d]pyrimidine
SMILESCOc1ncnc2c1cnn2-c1ccccc1
InChIInChI=1S/C12H10N4O/c1-17-12-10-7-15-16(11(10)13-8-14-12)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyLTPDEZYLENJCPU-UHFFFAOYSA-N
XLogP1.82
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-phenylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-methoxy-1-phenylpyrazolo[5,4-d]pyrimidine (CID 726117) is 4-methoxy-1-phenylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-methoxy-1-phenylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-methoxy-1-phenylpyrazolo[5,4-d]pyrimidine is COc1ncnc2c1cnn2-c1ccccc1.
What is the InChIKey of 4-methoxy-1-phenylpyrazolo[5,4-d]pyrimidine?
The InChIKey is LTPDEZYLENJCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c1-17-12-10-7-15-16(11(10)13-8-14-12)9-5-3-2-4-6-9/h2-8H,1H3.
What are the key properties of 4-methoxy-1-phenylpyrazolo[5,4-d]pyrimidine?
4-methoxy-1-phenylpyrazolo[5,4-d]pyrimidine has a molecular weight of 226.24 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-phenylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 726117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).