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

C26H25N7O2S — CID 15958116

IUPAC7-cyclohexyl-6-[4-(3-methylsulfonylphenyl)phenyl]-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
SMILESCS(=O)(=O)c1cccc(-c2ccc(-c3cnc4c(-c5nn[nH]n5)cnn4c3C3CCCCC3)cc2)c1
InChIInChI=1S/C26H25N7O2S/c1-36(34,35)21-9-5-8-20(14-21)17-10-12-18(13-11-17)22-15-27-26-23(25-29-31-32-30-25)16-28-33(26)24(22)19-6-3-2-4-7-19/h5,8-16,19H,2-4,6-7H2,1H3,(H,29,30,31,32)
InChIKeyUDHWRZWZJJDEJM-UHFFFAOYSA-N
MW499.60 g/mol
LogP4.69
Rot. Bonds5

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

7-cyclohexyl-6-[4-(3-methylsulfonylphenyl)phenyl]-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 15958116) has the molecular formula C26H25N7O2S and a molecular weight of 499.60 g/mol. Its IUPAC name is 7-cyclohexyl-6-[4-(3-methylsulfonylphenyl)phenyl]-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-cyclohexyl-6-[4-(3-methylsulfonylphenyl)phenyl]-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID15958116
Molecular FormulaC26H25N7O2S
Molecular Weight499.60 g/mol
Exact Mass499.18
IUPAC Name7-cyclohexyl-6-[4-(3-methylsulfonylphenyl)phenyl]-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
SMILESCS(=O)(=O)c1cccc(-c2ccc(-c3cnc4c(-c5nn[nH]n5)cnn4c3C3CCCCC3)cc2)c1
InChIInChI=1S/C26H25N7O2S/c1-36(34,35)21-9-5-8-20(14-21)17-10-12-18(13-11-17)22-15-27-26-23(25-29-31-32-30-25)16-28-33(26)24(22)19-6-3-2-4-7-19/h5,8-16,19H,2-4,6-7H2,1H3,(H,29,30,31,32)
InChIKeyUDHWRZWZJJDEJM-UHFFFAOYSA-N
XLogP4.69
TPSA118.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.60
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

Cep-33779
CID 57336812
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2-(Methylthio)-3-(phenylsulfonyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline
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CID 122193263
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6-(1h-Indazol-4-yl)-1-methyl-4-(4-(methylsulfonyl)phenyl)-1h-pyrazolo[3,4-d]pyrimidine
CID 44181481
2-Methylsulfanyl-3-phenylsulfonyl-5,6,7,8-tetrahydro-pyrazolo[5,1-b]quinazoline
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Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-6-[4-(3-methylsulfonylphenyl)phenyl]-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-cyclohexyl-6-[4-(3-methylsulfonylphenyl)phenyl]-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine (CID 15958116) is 7-cyclohexyl-6-[4-(3-methylsulfonylphenyl)phenyl]-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-cyclohexyl-6-[4-(3-methylsulfonylphenyl)phenyl]-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-cyclohexyl-6-[4-(3-methylsulfonylphenyl)phenyl]-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine is CS(=O)(=O)c1cccc(-c2ccc(-c3cnc4c(-c5nn[nH]n5)cnn4c3C3CCCCC3)cc2)c1.
What is the InChIKey of 7-cyclohexyl-6-[4-(3-methylsulfonylphenyl)phenyl]-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is UDHWRZWZJJDEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O2S/c1-36(34,35)21-9-5-8-20(14-21)17-10-12-18(13-11-17)22-15-27-26-23(25-29-31-32-30-25)16-28-33(26)24(22)19-6-3-2-4-7-19/h5,8-16,19H,2-4,6-7H2,1H3,(H,29,30,31,32).
What are the key properties of 7-cyclohexyl-6-[4-(3-methylsulfonylphenyl)phenyl]-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine?
7-cyclohexyl-6-[4-(3-methylsulfonylphenyl)phenyl]-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 499.60 g/mol, XLogP of 4.69, 5 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-methylsulfonylphenyl)phenyl]-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 15958116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).