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

C23H21N7O — CID 15958085

IUPAC6-(4-phenylmethoxyphenyl)-7-propan-2-yl-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
SMILESCC(C)c1c(-c2ccc(OCc3ccccc3)cc2)cnc2c(-c3nn[nH]n3)cnn12
InChIInChI=1S/C23H21N7O/c1-15(2)21-19(12-24-23-20(13-25-30(21)23)22-26-28-29-27-22)17-8-10-18(11-9-17)31-14-16-6-4-3-5-7-16/h3-13,15H,14H2,1-2H3,(H,26,27,28,29)
InChIKeyCGCUUBBQFCGLJG-UHFFFAOYSA-N
MW411.47 g/mol
LogP4.28
Rot. Bonds6

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

6-(4-phenylmethoxyphenyl)-7-propan-2-yl-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 15958085) has the molecular formula C23H21N7O and a molecular weight of 411.47 g/mol. Its IUPAC name is 6-(4-phenylmethoxyphenyl)-7-propan-2-yl-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-(4-phenylmethoxyphenyl)-7-propan-2-yl-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID15958085
Molecular FormulaC23H21N7O
Molecular Weight411.47 g/mol
Exact Mass411.18
IUPAC Name6-(4-phenylmethoxyphenyl)-7-propan-2-yl-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
SMILESCC(C)c1c(-c2ccc(OCc3ccccc3)cc2)cnc2c(-c3nn[nH]n3)cnn12
InChIInChI=1S/C23H21N7O/c1-15(2)21-19(12-24-23-20(13-25-30(21)23)22-26-28-29-27-22)17-8-10-18(11-9-17)31-14-16-6-4-3-5-7-16/h3-13,15H,14H2,1-2H3,(H,26,27,28,29)
InChIKeyCGCUUBBQFCGLJG-UHFFFAOYSA-N
XLogP4.28
TPSA93.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-phenylmethoxyphenyl)-7-propan-2-yl-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-(4-phenylmethoxyphenyl)-7-propan-2-yl-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine (CID 15958085) is 6-(4-phenylmethoxyphenyl)-7-propan-2-yl-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-(4-phenylmethoxyphenyl)-7-propan-2-yl-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-(4-phenylmethoxyphenyl)-7-propan-2-yl-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine is CC(C)c1c(-c2ccc(OCc3ccccc3)cc2)cnc2c(-c3nn[nH]n3)cnn12.
What is the InChIKey of 6-(4-phenylmethoxyphenyl)-7-propan-2-yl-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is CGCUUBBQFCGLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O/c1-15(2)21-19(12-24-23-20(13-25-30(21)23)22-26-28-29-27-22)17-8-10-18(11-9-17)31-14-16-6-4-3-5-7-16/h3-13,15H,14H2,1-2H3,(H,26,27,28,29).
What are the key properties of 6-(4-phenylmethoxyphenyl)-7-propan-2-yl-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine?
6-(4-phenylmethoxyphenyl)-7-propan-2-yl-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 411.47 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-phenylmethoxyphenyl)-7-propan-2-yl-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 15958085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).