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

C26H25N7 — CID 142838320

IUPAC7-cycloheptyl-6-(4-phenylphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
SMILESc1ccc(-c2ccc(-c3cnc4c(-c5nn[nH]n5)cnn4c3C3CCCCCC3)cc2)cc1
InChIInChI=1S/C26H25N7/c1-2-5-11-21(10-4-1)24-22(20-14-12-19(13-15-20)18-8-6-3-7-9-18)16-27-26-23(17-28-33(24)26)25-29-31-32-30-25/h3,6-9,12-17,21H,1-2,4-5,10-11H2,(H,29,30,31,32)
InChIKeyJHNGEAZMDODEJC-UHFFFAOYSA-N
MW435.54 g/mol
LogP5.68
Rot. Bonds4

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

7-cycloheptyl-6-(4-phenylphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 142838320) has the molecular formula C26H25N7 and a molecular weight of 435.54 g/mol. Its IUPAC name is 7-cycloheptyl-6-(4-phenylphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-cycloheptyl-6-(4-phenylphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID142838320
Molecular FormulaC26H25N7
Molecular Weight435.54 g/mol
Exact Mass435.22
IUPAC Name7-cycloheptyl-6-(4-phenylphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
SMILESc1ccc(-c2ccc(-c3cnc4c(-c5nn[nH]n5)cnn4c3C3CCCCCC3)cc2)cc1
InChIInChI=1S/C26H25N7/c1-2-5-11-21(10-4-1)24-22(20-14-12-19(13-15-20)18-8-6-3-7-9-18)16-27-26-23(17-28-33(24)26)25-29-31-32-30-25/h3,6-9,12-17,21H,1-2,4-5,10-11H2,(H,29,30,31,32)
InChIKeyJHNGEAZMDODEJC-UHFFFAOYSA-N
XLogP5.68
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.54
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-cycloheptyl-6-(4-phenylphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-cycloheptyl-6-(4-phenylphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-cycloheptyl-6-(4-phenylphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine (CID 142838320) is 7-cycloheptyl-6-(4-phenylphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-cycloheptyl-6-(4-phenylphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-cycloheptyl-6-(4-phenylphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine is c1ccc(-c2ccc(-c3cnc4c(-c5nn[nH]n5)cnn4c3C3CCCCCC3)cc2)cc1.
What is the InChIKey of 7-cycloheptyl-6-(4-phenylphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is JHNGEAZMDODEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7/c1-2-5-11-21(10-4-1)24-22(20-14-12-19(13-15-20)18-8-6-3-7-9-18)16-27-26-23(17-28-33(24)26)25-29-31-32-30-25/h3,6-9,12-17,21H,1-2,4-5,10-11H2,(H,29,30,31,32).
What are the key properties of 7-cycloheptyl-6-(4-phenylphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine?
7-cycloheptyl-6-(4-phenylphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 435.54 g/mol, XLogP of 5.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cycloheptyl-6-(4-phenylphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 142838320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).