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

C25H29N7O — CID 15958018

IUPAC7-cyclohexyl-6-(4-cyclohexyloxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
SMILESc1cc(-c2cnc3c(-c4nn[nH]n4)cnn3c2C2CCCCC2)ccc1OC1CCCCC1
InChIInChI=1S/C25H29N7O/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/h11-16,18-19H,1-10H2,(H,28,29,30,31)
InChIKeyXPLHLTYDOWIYHV-UHFFFAOYSA-N
MW443.56 g/mol
LogP5.34
Rot. Bonds5

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

7-cyclohexyl-6-(4-cyclohexyloxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 15958018) has the molecular formula C25H29N7O and a molecular weight of 443.56 g/mol. Its IUPAC name is 7-cyclohexyl-6-(4-cyclohexyloxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-cyclohexyl-6-(4-cyclohexyloxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID15958018
Molecular FormulaC25H29N7O
Molecular Weight443.56 g/mol
Exact Mass443.24
IUPAC Name7-cyclohexyl-6-(4-cyclohexyloxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
SMILESc1cc(-c2cnc3c(-c4nn[nH]n4)cnn3c2C2CCCCC2)ccc1OC1CCCCC1
InChIInChI=1S/C25H29N7O/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/h11-16,18-19H,1-10H2,(H,28,29,30,31)
InChIKeyXPLHLTYDOWIYHV-UHFFFAOYSA-N
XLogP5.34
TPSA93.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.56
LogP ≤ 55.34
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-cyclohexyloxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-cyclohexyl-6-(4-cyclohexyloxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine (CID 15958018) is 7-cyclohexyl-6-(4-cyclohexyloxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-cyclohexyl-6-(4-cyclohexyloxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-cyclohexyl-6-(4-cyclohexyloxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine is c1cc(-c2cnc3c(-c4nn[nH]n4)cnn3c2C2CCCCC2)ccc1OC1CCCCC1.
What is the InChIKey of 7-cyclohexyl-6-(4-cyclohexyloxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is XPLHLTYDOWIYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O/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/h11-16,18-19H,1-10H2,(H,28,29,30,31).
What are the key properties of 7-cyclohexyl-6-(4-cyclohexyloxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine?
7-cyclohexyl-6-(4-cyclohexyloxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 443.56 g/mol, XLogP of 5.34, 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-cyclohexyloxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 15958018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).