7-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine

C19H18FN5 — CID 4184169

IUPAC7-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCC(C)c1ccc(C2=CC(c3ccc(F)cc3)n3nnnc3N2)cc1
InChIInChI=1S/C19H18FN5/c1-12(2)13-3-5-14(6-4-13)17-11-18(15-7-9-16(20)10-8-15)25-19(21-17)22-23-24-25/h3-12,18H,1-2H3,(H,21,22,24)
InChIKeyDGZKOKVWONKRFT-UHFFFAOYSA-N
MW335.39 g/mol
LogP3.99
Rot. Bonds3

About 7-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine

7-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 4184169) has the molecular formula C19H18FN5 and a molecular weight of 335.39 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID4184169
Molecular FormulaC19H18FN5
Molecular Weight335.39 g/mol
Exact Mass335.15
IUPAC Name7-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCC(C)c1ccc(C2=CC(c3ccc(F)cc3)n3nnnc3N2)cc1
InChIInChI=1S/C19H18FN5/c1-12(2)13-3-5-14(6-4-13)17-11-18(15-7-9-16(20)10-8-15)25-19(21-17)22-23-24-25/h3-12,18H,1-2H3,(H,21,22,24)
InChIKeyDGZKOKVWONKRFT-UHFFFAOYSA-N
XLogP3.99
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 4184169) is 7-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is CC(C)c1ccc(C2=CC(c3ccc(F)cc3)n3nnnc3N2)cc1.
What is the InChIKey of 7-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is DGZKOKVWONKRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5/c1-12(2)13-3-5-14(6-4-13)17-11-18(15-7-9-16(20)10-8-15)25-19(21-17)22-23-24-25/h3-12,18H,1-2H3,(H,21,22,24).
What are the key properties of 7-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
7-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 335.39 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 4184169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).