(7R)-5-(3-chloro-4-ethoxyphenyl)-7-[4-(difluoromethoxy)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine

C19H16ClF2N5O2 — CID 136736474

About (7R)-5-(3-chloro-4-ethoxyphenyl)-7-[4-(difluoromethoxy)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine

(7R)-5-(3-chloro-4-ethoxyphenyl)-7-[4-(difluoromethoxy)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 136736474) has the molecular formula C19H16ClF2N5O2 and a molecular weight of 419.82 g/mol. Its IUPAC name is (7R)-5-(3-chloro-4-ethoxyphenyl)-7-[4-(difluoromethoxy)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

• Compound Name: (7R)-5-(3-chloro-4-ethoxyphenyl)-7-[4-(difluoromethoxy)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine
• PubChem CID: 136736474
• Molecular Formula: C19H16ClF2N5O2
• Molecular Weight: 419.82 g/mol
• Exact Mass: 419.10
• IUPAC Name: (7R)-5-(3-chloro-4-ethoxyphenyl)-7-[4-(difluoromethoxy)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine
• SMILES: CCOc1ccc(C2=C[C@H](c3ccc(OC(F)F)cc3)n3nnnc3N2)cc1Cl
• InChI: InChI=1S/C19H16ClF2N5O2/c1-2-28-17-8-5-12(9-14(17)20)15-10-16(27-19(23-15)24-25-26-27)11-3-6-13(7-4-11)29-18(21)22/h3-10,16,18H,2H2,1H3,(H,23,24,26)/t16-/m1/s1
• InChIKey: TWIDPHIOIOPPEB-MRXNPFEDSA-N
• XLogP: 4.38
• TPSA: 74.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.82
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (7R)-5-(3-chloro-4-ethoxyphenyl)-7-[4-(difluoromethoxy)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine?

The IUPAC name of (7R)-5-(3-chloro-4-ethoxyphenyl)-7-[4-(difluoromethoxy)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 136736474) is (7R)-5-(3-chloro-4-ethoxyphenyl)-7-[4-(difluoromethoxy)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine.

What is the SMILES notation for (7R)-5-(3-chloro-4-ethoxyphenyl)-7-[4-(difluoromethoxy)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine?

The canonical SMILES for (7R)-5-(3-chloro-4-ethoxyphenyl)-7-[4-(difluoromethoxy)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine is CCOc1ccc(C2=C[C@H](c3ccc(OC(F)F)cc3)n3nnnc3N2)cc1Cl.

What is the InChIKey of (7R)-5-(3-chloro-4-ethoxyphenyl)-7-[4-(difluoromethoxy)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine?

The InChIKey is TWIDPHIOIOPPEB-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H16ClF2N5O2/c1-2-28-17-8-5-12(9-14(17)20)15-10-16(27-19(23-15)24-25-26-27)11-3-6-13(7-4-11)29-18(21)22/h3-10,16,18H,2H2,1H3,(H,23,24,26)/t16-/m1/s1.

What are the key properties of (7R)-5-(3-chloro-4-ethoxyphenyl)-7-[4-(difluoromethoxy)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine?

(7R)-5-(3-chloro-4-ethoxyphenyl)-7-[4-(difluoromethoxy)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 419.82 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-5-(3-chloro-4-ethoxyphenyl)-7-[4-(difluoromethoxy)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136736474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).