7-cyclohexyl-3-(1-methyltetrazol-5-yl)-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine

C27H27N7O — CID 15958057

IUPAC7-cyclohexyl-3-(1-methyltetrazol-5-yl)-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCn1nnnc1-c1cnn2c(C3CCCCC3)c(-c3ccc(OCc4ccccc4)cc3)cnc12
InChIInChI=1S/C27H27N7O/c1-33-27(30-31-32-33)24-17-29-34-25(21-10-6-3-7-11-21)23(16-28-26(24)34)20-12-14-22(15-13-20)35-18-19-8-4-2-5-9-19/h2,4-5,8-9,12-17,21H,3,6-7,10-11,18H2,1H3
InChIKeySUNJIMPSJZZJPT-UHFFFAOYSA-N
MW465.56 g/mol
LogP5.21
Rot. Bonds6

About 7-cyclohexyl-3-(1-methyltetrazol-5-yl)-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine

7-cyclohexyl-3-(1-methyltetrazol-5-yl)-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 15958057) has the molecular formula C27H27N7O and a molecular weight of 465.56 g/mol. Its IUPAC name is 7-cyclohexyl-3-(1-methyltetrazol-5-yl)-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-cyclohexyl-3-(1-methyltetrazol-5-yl)-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine
PubChem CID15958057
Molecular FormulaC27H27N7O
Molecular Weight465.56 g/mol
Exact Mass465.23
IUPAC Name7-cyclohexyl-3-(1-methyltetrazol-5-yl)-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCn1nnnc1-c1cnn2c(C3CCCCC3)c(-c3ccc(OCc4ccccc4)cc3)cnc12
InChIInChI=1S/C27H27N7O/c1-33-27(30-31-32-33)24-17-29-34-25(21-10-6-3-7-11-21)23(16-28-26(24)34)20-12-14-22(15-13-20)35-18-19-8-4-2-5-9-19/h2,4-5,8-9,12-17,21H,3,6-7,10-11,18H2,1H3
InChIKeySUNJIMPSJZZJPT-UHFFFAOYSA-N
XLogP5.21
TPSA83.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.56
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-3-(1-methyltetrazol-5-yl)-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-cyclohexyl-3-(1-methyltetrazol-5-yl)-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine (CID 15958057) is 7-cyclohexyl-3-(1-methyltetrazol-5-yl)-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-cyclohexyl-3-(1-methyltetrazol-5-yl)-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-cyclohexyl-3-(1-methyltetrazol-5-yl)-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine is Cn1nnnc1-c1cnn2c(C3CCCCC3)c(-c3ccc(OCc4ccccc4)cc3)cnc12.
What is the InChIKey of 7-cyclohexyl-3-(1-methyltetrazol-5-yl)-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is SUNJIMPSJZZJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O/c1-33-27(30-31-32-33)24-17-29-34-25(21-10-6-3-7-11-21)23(16-28-26(24)34)20-12-14-22(15-13-20)35-18-19-8-4-2-5-9-19/h2,4-5,8-9,12-17,21H,3,6-7,10-11,18H2,1H3.
What are the key properties of 7-cyclohexyl-3-(1-methyltetrazol-5-yl)-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
7-cyclohexyl-3-(1-methyltetrazol-5-yl)-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 465.56 g/mol, XLogP of 5.21, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-3-(1-methyltetrazol-5-yl)-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 15958057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).