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

C27H26N8O2 — CID 15958072

IUPAC7-cyclohexyl-6-(4-phenylmethoxyphenyl)-N-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1nn[nH]n1)c1cnn2c(C3CCCCC3)c(-c3ccc(OCc4ccccc4)cc3)cnc12
InChIInChI=1S/C27H26N8O2/c36-26(30-27-31-33-34-32-27)23-16-29-35-24(20-9-5-2-6-10-20)22(15-28-25(23)35)19-11-13-21(14-12-19)37-17-18-7-3-1-4-8-18/h1,3-4,7-8,11-16,20H,2,5-6,9-10,17H2,(H2,30,31,32,33,34,36)
InChIKeyDWYAPXKFZFRAPJ-UHFFFAOYSA-N
MW494.56 g/mol
LogP4.79
Rot. Bonds7

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

7-cyclohexyl-6-(4-phenylmethoxyphenyl)-N-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 15958072) has the molecular formula C27H26N8O2 and a molecular weight of 494.56 g/mol. Its IUPAC name is 7-cyclohexyl-6-(4-phenylmethoxyphenyl)-N-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-cyclohexyl-6-(4-phenylmethoxyphenyl)-N-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID15958072
Molecular FormulaC27H26N8O2
Molecular Weight494.56 g/mol
Exact Mass494.22
IUPAC Name7-cyclohexyl-6-(4-phenylmethoxyphenyl)-N-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1nn[nH]n1)c1cnn2c(C3CCCCC3)c(-c3ccc(OCc4ccccc4)cc3)cnc12
InChIInChI=1S/C27H26N8O2/c36-26(30-27-31-33-34-32-27)23-16-29-35-24(20-9-5-2-6-10-20)22(15-28-25(23)35)19-11-13-21(14-12-19)37-17-18-7-3-1-4-8-18/h1,3-4,7-8,11-16,20H,2,5-6,9-10,17H2,(H2,30,31,32,33,34,36)
InChIKeyDWYAPXKFZFRAPJ-UHFFFAOYSA-N
XLogP4.79
TPSA122.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.56
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-6-(4-phenylmethoxyphenyl)-N-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-cyclohexyl-6-(4-phenylmethoxyphenyl)-N-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 15958072) is 7-cyclohexyl-6-(4-phenylmethoxyphenyl)-N-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-cyclohexyl-6-(4-phenylmethoxyphenyl)-N-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-cyclohexyl-6-(4-phenylmethoxyphenyl)-N-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1nn[nH]n1)c1cnn2c(C3CCCCC3)c(-c3ccc(OCc4ccccc4)cc3)cnc12.
What is the InChIKey of 7-cyclohexyl-6-(4-phenylmethoxyphenyl)-N-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is DWYAPXKFZFRAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N8O2/c36-26(30-27-31-33-34-32-27)23-16-29-35-24(20-9-5-2-6-10-20)22(15-28-25(23)35)19-11-13-21(14-12-19)37-17-18-7-3-1-4-8-18/h1,3-4,7-8,11-16,20H,2,5-6,9-10,17H2,(H2,30,31,32,33,34,36).
What are the key properties of 7-cyclohexyl-6-(4-phenylmethoxyphenyl)-N-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-cyclohexyl-6-(4-phenylmethoxyphenyl)-N-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 494.56 g/mol, XLogP of 4.79, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-6-(4-phenylmethoxyphenyl)-N-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 15958072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).