7-(5-methyl-1-phenylpyrazol-4-yl)-5-[4-[7-(5-methyl-1-phenylpyrazol-4-yl)tetrazolo[1,5-a]pyrimidin-5-yl]phenyl]tetrazolo[1,5-a]pyrimidine

C34H24N14 — CID 155513726

IUPAC7-(5-methyl-1-phenylpyrazol-4-yl)-5-[4-[7-(5-methyl-1-phenylpyrazol-4-yl)tetrazolo[1,5-a]pyrimidin-5-yl]phenyl]tetrazolo[1,5-a]pyrimidine
SMILESCc1c(-c2cc(-c3ccc(-c4cc(-c5cnn(-c6ccccc6)c5C)n5nnnc5n4)cc3)nc3nnnn23)cnn1-c1ccccc1
InChIInChI=1S/C34H24N14/c1-21-27(19-35-45(21)25-9-5-3-6-10-25)31-17-29(37-33-39-41-43-47(31)33)23-13-15-24(16-14-23)30-18-32(48-34(38-30)40-42-44-48)28-20-36-46(22(28)2)26-11-7-4-8-12-26/h3-20H,1-2H3
InChIKeyWLLQQMDTGPTIJJ-UHFFFAOYSA-N
MW628.66 g/mol
LogP5.01
Rot. Bonds6

About 7-(5-methyl-1-phenylpyrazol-4-yl)-5-[4-[7-(5-methyl-1-phenylpyrazol-4-yl)tetrazolo[1,5-a]pyrimidin-5-yl]phenyl]tetrazolo[1,5-a]pyrimidine

7-(5-methyl-1-phenylpyrazol-4-yl)-5-[4-[7-(5-methyl-1-phenylpyrazol-4-yl)tetrazolo[1,5-a]pyrimidin-5-yl]phenyl]tetrazolo[1,5-a]pyrimidine (PubChem CID 155513726) has the molecular formula C34H24N14 and a molecular weight of 628.66 g/mol. Its IUPAC name is 7-(5-methyl-1-phenylpyrazol-4-yl)-5-[4-[7-(5-methyl-1-phenylpyrazol-4-yl)tetrazolo[1,5-a]pyrimidin-5-yl]phenyl]tetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(5-methyl-1-phenylpyrazol-4-yl)-5-[4-[7-(5-methyl-1-phenylpyrazol-4-yl)tetrazolo[1,5-a]pyrimidin-5-yl]phenyl]tetrazolo[1,5-a]pyrimidine
PubChem CID155513726
Molecular FormulaC34H24N14
Molecular Weight628.66 g/mol
Exact Mass628.23
IUPAC Name7-(5-methyl-1-phenylpyrazol-4-yl)-5-[4-[7-(5-methyl-1-phenylpyrazol-4-yl)tetrazolo[1,5-a]pyrimidin-5-yl]phenyl]tetrazolo[1,5-a]pyrimidine
SMILESCc1c(-c2cc(-c3ccc(-c4cc(-c5cnn(-c6ccccc6)c5C)n5nnnc5n4)cc3)nc3nnnn23)cnn1-c1ccccc1
InChIInChI=1S/C34H24N14/c1-21-27(19-35-45(21)25-9-5-3-6-10-25)31-17-29(37-33-39-41-43-47(31)33)23-13-15-24(16-14-23)30-18-32(48-34(38-30)40-42-44-48)28-20-36-46(22(28)2)26-11-7-4-8-12-26/h3-20H,1-2H3
InChIKeyWLLQQMDTGPTIJJ-UHFFFAOYSA-N
XLogP5.01
TPSA147.58 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500628.66
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 7-(5-methyl-1-phenylpyrazol-4-yl)-5-[4-[7-(5-methyl-1-phenylpyrazol-4-yl)tetrazolo[1,5-a]pyrimidin-5-yl]phenyl]tetrazolo[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-(5-methyl-1-phenylpyrazol-4-yl)-5-[4-[7-(5-methyl-1-phenylpyrazol-4-yl)tetrazolo[1,5-a]pyrimidin-5-yl]phenyl]tetrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(5-methyl-1-phenylpyrazol-4-yl)-5-[4-[7-(5-methyl-1-phenylpyrazol-4-yl)tetrazolo[1,5-a]pyrimidin-5-yl]phenyl]tetrazolo[1,5-a]pyrimidine (CID 155513726) is 7-(5-methyl-1-phenylpyrazol-4-yl)-5-[4-[7-(5-methyl-1-phenylpyrazol-4-yl)tetrazolo[1,5-a]pyrimidin-5-yl]phenyl]tetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(5-methyl-1-phenylpyrazol-4-yl)-5-[4-[7-(5-methyl-1-phenylpyrazol-4-yl)tetrazolo[1,5-a]pyrimidin-5-yl]phenyl]tetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(5-methyl-1-phenylpyrazol-4-yl)-5-[4-[7-(5-methyl-1-phenylpyrazol-4-yl)tetrazolo[1,5-a]pyrimidin-5-yl]phenyl]tetrazolo[1,5-a]pyrimidine is Cc1c(-c2cc(-c3ccc(-c4cc(-c5cnn(-c6ccccc6)c5C)n5nnnc5n4)cc3)nc3nnnn23)cnn1-c1ccccc1.
What is the InChIKey of 7-(5-methyl-1-phenylpyrazol-4-yl)-5-[4-[7-(5-methyl-1-phenylpyrazol-4-yl)tetrazolo[1,5-a]pyrimidin-5-yl]phenyl]tetrazolo[1,5-a]pyrimidine?
The InChIKey is WLLQQMDTGPTIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24N14/c1-21-27(19-35-45(21)25-9-5-3-6-10-25)31-17-29(37-33-39-41-43-47(31)33)23-13-15-24(16-14-23)30-18-32(48-34(38-30)40-42-44-48)28-20-36-46(22(28)2)26-11-7-4-8-12-26/h3-20H,1-2H3.
What are the key properties of 7-(5-methyl-1-phenylpyrazol-4-yl)-5-[4-[7-(5-methyl-1-phenylpyrazol-4-yl)tetrazolo[1,5-a]pyrimidin-5-yl]phenyl]tetrazolo[1,5-a]pyrimidine?
7-(5-methyl-1-phenylpyrazol-4-yl)-5-[4-[7-(5-methyl-1-phenylpyrazol-4-yl)tetrazolo[1,5-a]pyrimidin-5-yl]phenyl]tetrazolo[1,5-a]pyrimidine has a molecular weight of 628.66 g/mol, XLogP of 5.01, 6 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-methyl-1-phenylpyrazol-4-yl)-5-[4-[7-(5-methyl-1-phenylpyrazol-4-yl)tetrazolo[1,5-a]pyrimidin-5-yl]phenyl]tetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 155513726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).