(7R)-7-(3-bromo-4-fluorophenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine

C17H13BrFN5 — CID 136736406

IUPAC(7R)-7-(3-bromo-4-fluorophenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCc1ccc(C2=C[C@H](c3ccc(F)c(Br)c3)n3nnnc3N2)cc1
InChIInChI=1S/C17H13BrFN5/c1-10-2-4-11(5-3-10)15-9-16(24-17(20-15)21-22-23-24)12-6-7-14(19)13(18)8-12/h2-9,16H,1H3,(H,20,21,23)/t16-/m1/s1
InChIKeyFBHJIUUBWOOLSN-MRXNPFEDSA-N
MW386.23 g/mol
LogP3.94
Rot. Bonds2

About (7R)-7-(3-bromo-4-fluorophenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine

(7R)-7-(3-bromo-4-fluorophenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 136736406) has the molecular formula C17H13BrFN5 and a molecular weight of 386.23 g/mol. Its IUPAC name is (7R)-7-(3-bromo-4-fluorophenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name(7R)-7-(3-bromo-4-fluorophenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID136736406
Molecular FormulaC17H13BrFN5
Molecular Weight386.23 g/mol
Exact Mass385.03
IUPAC Name(7R)-7-(3-bromo-4-fluorophenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCc1ccc(C2=C[C@H](c3ccc(F)c(Br)c3)n3nnnc3N2)cc1
InChIInChI=1S/C17H13BrFN5/c1-10-2-4-11(5-3-10)15-9-16(24-17(20-15)21-22-23-24)12-6-7-14(19)13(18)8-12/h2-9,16H,1H3,(H,20,21,23)/t16-/m1/s1
InChIKeyFBHJIUUBWOOLSN-MRXNPFEDSA-N
XLogP3.94
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.23
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7R)-7-(3-bromo-4-fluorophenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of (7R)-7-(3-bromo-4-fluorophenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 136736406) is (7R)-7-(3-bromo-4-fluorophenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for (7R)-7-(3-bromo-4-fluorophenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for (7R)-7-(3-bromo-4-fluorophenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is Cc1ccc(C2=C[C@H](c3ccc(F)c(Br)c3)n3nnnc3N2)cc1.
What is the InChIKey of (7R)-7-(3-bromo-4-fluorophenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is FBHJIUUBWOOLSN-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H13BrFN5/c1-10-2-4-11(5-3-10)15-9-16(24-17(20-15)21-22-23-24)12-6-7-14(19)13(18)8-12/h2-9,16H,1H3,(H,20,21,23)/t16-/m1/s1.
What are the key properties of (7R)-7-(3-bromo-4-fluorophenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
(7R)-7-(3-bromo-4-fluorophenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 386.23 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-(3-bromo-4-fluorophenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136736406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).