6-(3-phenylpyrazol-1-yl)-7H-purine

C14H10N6 — CID 66013947

IUPAC6-(3-phenylpyrazol-1-yl)-7H-purine
SMILESc1ccc(-c2ccn(-c3ncnc4nc[nH]c34)n2)cc1
InChIInChI=1S/C14H10N6/c1-2-4-10(5-3-1)11-6-7-20(19-11)14-12-13(16-8-15-12)17-9-18-14/h1-9H,(H,15,16,17,18)
InChIKeyLEQNIGAJYSEEDM-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.21
Rot. Bonds2

About 6-(3-phenylpyrazol-1-yl)-7H-purine

6-(3-phenylpyrazol-1-yl)-7H-purine (PubChem CID 66013947) has the molecular formula C14H10N6 and a molecular weight of 262.28 g/mol. Its IUPAC name is 6-(3-phenylpyrazol-1-yl)-7H-purine.

Molecular Properties

Compound Name6-(3-phenylpyrazol-1-yl)-7H-purine
PubChem CID66013947
Molecular FormulaC14H10N6
Molecular Weight262.28 g/mol
Exact Mass262.10
IUPAC Name6-(3-phenylpyrazol-1-yl)-7H-purine
SMILESc1ccc(-c2ccn(-c3ncnc4nc[nH]c34)n2)cc1
InChIInChI=1S/C14H10N6/c1-2-4-10(5-3-1)11-6-7-20(19-11)14-12-13(16-8-15-12)17-9-18-14/h1-9H,(H,15,16,17,18)
InChIKeyLEQNIGAJYSEEDM-UHFFFAOYSA-N
XLogP2.21
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-phenylpyrazol-1-yl)-7H-purine?
The IUPAC name of 6-(3-phenylpyrazol-1-yl)-7H-purine (CID 66013947) is 6-(3-phenylpyrazol-1-yl)-7H-purine.
What is the SMILES notation for 6-(3-phenylpyrazol-1-yl)-7H-purine?
The canonical SMILES for 6-(3-phenylpyrazol-1-yl)-7H-purine is c1ccc(-c2ccn(-c3ncnc4nc[nH]c34)n2)cc1.
What is the InChIKey of 6-(3-phenylpyrazol-1-yl)-7H-purine?
The InChIKey is LEQNIGAJYSEEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N6/c1-2-4-10(5-3-1)11-6-7-20(19-11)14-12-13(16-8-15-12)17-9-18-14/h1-9H,(H,15,16,17,18).
What are the key properties of 6-(3-phenylpyrazol-1-yl)-7H-purine?
6-(3-phenylpyrazol-1-yl)-7H-purine has a molecular weight of 262.28 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-phenylpyrazol-1-yl)-7H-purine is sourced from PubChem (CID 66013947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).