7-phenyl-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine

C26H19N7O — CID 15957963

IUPAC7-phenyl-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
SMILESc1ccc(COc2ccc(-c3cnc4c(-c5nn[nH]n5)cnn4c3-c3ccccc3)cc2)cc1
InChIInChI=1S/C26H19N7O/c1-3-7-18(8-4-1)17-34-21-13-11-19(12-14-21)22-15-27-26-23(25-29-31-32-30-25)16-28-33(26)24(22)20-9-5-2-6-10-20/h1-16H,17H2,(H,29,30,31,32)
InChIKeyXURMEZUDHPYADJ-UHFFFAOYSA-N
MW445.49 g/mol
LogP4.82
Rot. Bonds6

About 7-phenyl-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine

7-phenyl-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 15957963) has the molecular formula C26H19N7O and a molecular weight of 445.49 g/mol. Its IUPAC name is 7-phenyl-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-phenyl-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID15957963
Molecular FormulaC26H19N7O
Molecular Weight445.49 g/mol
Exact Mass445.17
IUPAC Name7-phenyl-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
SMILESc1ccc(COc2ccc(-c3cnc4c(-c5nn[nH]n5)cnn4c3-c3ccccc3)cc2)cc1
InChIInChI=1S/C26H19N7O/c1-3-7-18(8-4-1)17-34-21-13-11-19(12-14-21)22-15-27-26-23(25-29-31-32-30-25)16-28-33(26)24(22)20-9-5-2-6-10-20/h1-16H,17H2,(H,29,30,31,32)
InChIKeyXURMEZUDHPYADJ-UHFFFAOYSA-N
XLogP4.82
TPSA93.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.49
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 5329447
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CID 50997747
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CID 16126651
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CID 5329453
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CID 6539953
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Frequently Asked Questions

What is the IUPAC name of 7-phenyl-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-phenyl-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine (CID 15957963) is 7-phenyl-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-phenyl-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-phenyl-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine is c1ccc(COc2ccc(-c3cnc4c(-c5nn[nH]n5)cnn4c3-c3ccccc3)cc2)cc1.
What is the InChIKey of 7-phenyl-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is XURMEZUDHPYADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N7O/c1-3-7-18(8-4-1)17-34-21-13-11-19(12-14-21)22-15-27-26-23(25-29-31-32-30-25)16-28-33(26)24(22)20-9-5-2-6-10-20/h1-16H,17H2,(H,29,30,31,32).
What are the key properties of 7-phenyl-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine?
7-phenyl-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 445.49 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 15957963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).