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

C25H23N7O — CID 15958026

IUPAC7-cyclohexyl-6-(4-phenoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
SMILESc1ccc(Oc2ccc(-c3cnc4c(-c5nn[nH]n5)cnn4c3C3CCCCC3)cc2)cc1
InChIInChI=1S/C25H23N7O/c1-3-7-18(8-4-1)23-21(15-26-25-22(16-27-32(23)25)24-28-30-31-29-24)17-11-13-20(14-12-17)33-19-9-5-2-6-10-19/h2,5-6,9-16,18H,1,3-4,7-8H2,(H,28,29,30,31)
InChIKeyRLHBFNVSHFWJJK-UHFFFAOYSA-N
MW437.51 g/mol
LogP5.42
Rot. Bonds5

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

7-cyclohexyl-6-(4-phenoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 15958026) has the molecular formula C25H23N7O and a molecular weight of 437.51 g/mol. Its IUPAC name is 7-cyclohexyl-6-(4-phenoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-cyclohexyl-6-(4-phenoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID15958026
Molecular FormulaC25H23N7O
Molecular Weight437.51 g/mol
Exact Mass437.20
IUPAC Name7-cyclohexyl-6-(4-phenoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
SMILESc1ccc(Oc2ccc(-c3cnc4c(-c5nn[nH]n5)cnn4c3C3CCCCC3)cc2)cc1
InChIInChI=1S/C25H23N7O/c1-3-7-18(8-4-1)23-21(15-26-25-22(16-27-32(23)25)24-28-30-31-29-24)17-11-13-20(14-12-17)33-19-9-5-2-6-10-19/h2,5-6,9-16,18H,1,3-4,7-8H2,(H,28,29,30,31)
InChIKeyRLHBFNVSHFWJJK-UHFFFAOYSA-N
XLogP5.42
TPSA93.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.51
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-6-(4-phenoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-cyclohexyl-6-(4-phenoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine (CID 15958026) is 7-cyclohexyl-6-(4-phenoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-cyclohexyl-6-(4-phenoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-cyclohexyl-6-(4-phenoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine is c1ccc(Oc2ccc(-c3cnc4c(-c5nn[nH]n5)cnn4c3C3CCCCC3)cc2)cc1.
What is the InChIKey of 7-cyclohexyl-6-(4-phenoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is RLHBFNVSHFWJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O/c1-3-7-18(8-4-1)23-21(15-26-25-22(16-27-32(23)25)24-28-30-31-29-24)17-11-13-20(14-12-17)33-19-9-5-2-6-10-19/h2,5-6,9-16,18H,1,3-4,7-8H2,(H,28,29,30,31).
What are the key properties of 7-cyclohexyl-6-(4-phenoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine?
7-cyclohexyl-6-(4-phenoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 437.51 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-6-(4-phenoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 15958026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).