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

C25H25N7O — CID 15958087

IUPAC7-(3-methylbutyl)-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
SMILESCC(C)CCc1c(-c2ccc(OCc3ccccc3)cc2)cnc2c(-c3nn[nH]n3)cnn12
InChIInChI=1S/C25H25N7O/c1-17(2)8-13-23-21(14-26-25-22(15-27-32(23)25)24-28-30-31-29-24)19-9-11-20(12-10-19)33-16-18-6-4-3-5-7-18/h3-7,9-12,14-15,17H,8,13,16H2,1-2H3,(H,28,29,30,31)
InChIKeyBAUMYZYNVBGKCY-UHFFFAOYSA-N
MW439.52 g/mol
LogP4.74
Rot. Bonds8

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

7-(3-methylbutyl)-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 15958087) has the molecular formula C25H25N7O and a molecular weight of 439.52 g/mol. Its IUPAC name is 7-(3-methylbutyl)-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(3-methylbutyl)-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID15958087
Molecular FormulaC25H25N7O
Molecular Weight439.52 g/mol
Exact Mass439.21
IUPAC Name7-(3-methylbutyl)-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
SMILESCC(C)CCc1c(-c2ccc(OCc3ccccc3)cc2)cnc2c(-c3nn[nH]n3)cnn12
InChIInChI=1S/C25H25N7O/c1-17(2)8-13-23-21(14-26-25-22(15-27-32(23)25)24-28-30-31-29-24)19-9-11-20(12-10-19)33-16-18-6-4-3-5-7-18/h3-7,9-12,14-15,17H,8,13,16H2,1-2H3,(H,28,29,30,31)
InChIKeyBAUMYZYNVBGKCY-UHFFFAOYSA-N
XLogP4.74
TPSA93.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(3-methylbutyl)-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(3-methylbutyl)-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine (CID 15958087) is 7-(3-methylbutyl)-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(3-methylbutyl)-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(3-methylbutyl)-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine is CC(C)CCc1c(-c2ccc(OCc3ccccc3)cc2)cnc2c(-c3nn[nH]n3)cnn12.
What is the InChIKey of 7-(3-methylbutyl)-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is BAUMYZYNVBGKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O/c1-17(2)8-13-23-21(14-26-25-22(15-27-32(23)25)24-28-30-31-29-24)19-9-11-20(12-10-19)33-16-18-6-4-3-5-7-18/h3-7,9-12,14-15,17H,8,13,16H2,1-2H3,(H,28,29,30,31).
What are the key properties of 7-(3-methylbutyl)-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine?
7-(3-methylbutyl)-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 439.52 g/mol, XLogP of 4.74, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methylbutyl)-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 15958087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).