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

C27H27N7O2 — CID 15958009

IUPAC7-cyclohexyl-6-[4-[(3-methoxyphenyl)methoxy]phenyl]-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1cccc(COc2ccc(-c3cnc4c(-c5nn[nH]n5)cnn4c3C3CCCCC3)cc2)c1
InChIInChI=1S/C27H27N7O2/c1-35-22-9-5-6-18(14-22)17-36-21-12-10-19(11-13-21)23-15-28-27-24(26-30-32-33-31-26)16-29-34(27)25(23)20-7-3-2-4-8-20/h5-6,9-16,20H,2-4,7-8,17H2,1H3,(H,30,31,32,33)
InChIKeySNFPSIQNBVXRAG-UHFFFAOYSA-N
MW481.56 g/mol
LogP5.21
Rot. Bonds7

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

7-cyclohexyl-6-[4-[(3-methoxyphenyl)methoxy]phenyl]-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 15958009) has the molecular formula C27H27N7O2 and a molecular weight of 481.56 g/mol. Its IUPAC name is 7-cyclohexyl-6-[4-[(3-methoxyphenyl)methoxy]phenyl]-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-cyclohexyl-6-[4-[(3-methoxyphenyl)methoxy]phenyl]-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID15958009
Molecular FormulaC27H27N7O2
Molecular Weight481.56 g/mol
Exact Mass481.22
IUPAC Name7-cyclohexyl-6-[4-[(3-methoxyphenyl)methoxy]phenyl]-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1cccc(COc2ccc(-c3cnc4c(-c5nn[nH]n5)cnn4c3C3CCCCC3)cc2)c1
InChIInChI=1S/C27H27N7O2/c1-35-22-9-5-6-18(14-22)17-36-21-12-10-19(11-13-21)23-15-28-27-24(26-30-32-33-31-26)16-29-34(27)25(23)20-7-3-2-4-8-20/h5-6,9-16,20H,2-4,7-8,17H2,1H3,(H,30,31,32,33)
InChIKeySNFPSIQNBVXRAG-UHFFFAOYSA-N
XLogP5.21
TPSA103.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.56
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-6-[4-[(3-methoxyphenyl)methoxy]phenyl]-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-cyclohexyl-6-[4-[(3-methoxyphenyl)methoxy]phenyl]-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine (CID 15958009) is 7-cyclohexyl-6-[4-[(3-methoxyphenyl)methoxy]phenyl]-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-cyclohexyl-6-[4-[(3-methoxyphenyl)methoxy]phenyl]-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-cyclohexyl-6-[4-[(3-methoxyphenyl)methoxy]phenyl]-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine is COc1cccc(COc2ccc(-c3cnc4c(-c5nn[nH]n5)cnn4c3C3CCCCC3)cc2)c1.
What is the InChIKey of 7-cyclohexyl-6-[4-[(3-methoxyphenyl)methoxy]phenyl]-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is SNFPSIQNBVXRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O2/c1-35-22-9-5-6-18(14-22)17-36-21-12-10-19(11-13-21)23-15-28-27-24(26-30-32-33-31-26)16-29-34(27)25(23)20-7-3-2-4-8-20/h5-6,9-16,20H,2-4,7-8,17H2,1H3,(H,30,31,32,33).
What are the key properties of 7-cyclohexyl-6-[4-[(3-methoxyphenyl)methoxy]phenyl]-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine?
7-cyclohexyl-6-[4-[(3-methoxyphenyl)methoxy]phenyl]-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 481.56 g/mol, XLogP of 5.21, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-6-[4-[(3-methoxyphenyl)methoxy]phenyl]-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 15958009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).