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

C26H25N7O — CID 15957966

IUPAC7-cyclohexyl-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
SMILESc1ccc(COc2ccc(-c3cnc4c(-c5nn[nH]n5)cnn4c3C3CCCCC3)cc2)cc1
InChIInChI=1S/C26H25N7O/c1-3-7-18(8-4-1)17-34-21-13-11-19(12-14-21)22-15-27-26-23(25-29-31-32-30-25)16-28-33(26)24(22)20-9-5-2-6-10-20/h1,3-4,7-8,11-16,20H,2,5-6,9-10,17H2,(H,29,30,31,32)
InChIKeyXZDHJVLVFHGMAQ-UHFFFAOYSA-N
MW451.53 g/mol
LogP5.20
Rot. Bonds6

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

7-cyclohexyl-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 15957966) has the molecular formula C26H25N7O and a molecular weight of 451.53 g/mol. Its IUPAC name is 7-cyclohexyl-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-cyclohexyl-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID15957966
Molecular FormulaC26H25N7O
Molecular Weight451.53 g/mol
Exact Mass451.21
IUPAC Name7-cyclohexyl-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
SMILESc1ccc(COc2ccc(-c3cnc4c(-c5nn[nH]n5)cnn4c3C3CCCCC3)cc2)cc1
InChIInChI=1S/C26H25N7O/c1-3-7-18(8-4-1)17-34-21-13-11-19(12-14-21)22-15-27-26-23(25-29-31-32-30-25)16-28-33(26)24(22)20-9-5-2-6-10-20/h1,3-4,7-8,11-16,20H,2,5-6,9-10,17H2,(H,29,30,31,32)
InChIKeyXZDHJVLVFHGMAQ-UHFFFAOYSA-N
XLogP5.20
TPSA93.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.53
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

7-cyclohexyl-6-[4-(pyridin-3-ylmethoxy)phenyl]-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
CID 15958077
7-cyclohexyl-3-(2H-tetrazol-5-yl)-6-[3-[[3-(trifluoromethoxy)phenyl]methoxy]phenyl]pyrazolo[1,5-a]pyrimidine
CID 15957998
6-[4-(1,3-benzodioxol-5-yloxy)phenyl]-7-cyclohexyl-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
CID 15958044
7-cyclohexyl-6-[3-(3-methoxyphenoxy)phenyl]-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
CID 15957975
N-[7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]propane-2-sulfonamide
CID 15958097
N-cyano-7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 15958107
N-benzyl-4-[6-cyclohexyl-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]aniline
CID 15957983
methyl 4-[[7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]amino]-4-oxobutanoate
CID 15958094
7-cyclohexyl-6-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 15958109
7-cyclohexyl-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 15957960
5-cyclopentyl-3-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole
CID 146533306
[6-[4-(cyclohexa-1,3-dien-1-ylmethoxy)phenyl]-7-cyclohexylpyrazolo[1,5-a]pyrimidin-3-yl]methanol
CID 142837939

Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-cyclohexyl-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine (CID 15957966) is 7-cyclohexyl-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-cyclohexyl-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-cyclohexyl-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine is c1ccc(COc2ccc(-c3cnc4c(-c5nn[nH]n5)cnn4c3C3CCCCC3)cc2)cc1.
What is the InChIKey of 7-cyclohexyl-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is XZDHJVLVFHGMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O/c1-3-7-18(8-4-1)17-34-21-13-11-19(12-14-21)22-15-27-26-23(25-29-31-32-30-25)16-28-33(26)24(22)20-9-5-2-6-10-20/h1,3-4,7-8,11-16,20H,2,5-6,9-10,17H2,(H,29,30,31,32).
What are the key properties of 7-cyclohexyl-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine?
7-cyclohexyl-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 451.53 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 15957966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).