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

C20H19F2N5O2 — CID 136736497

IUPAC(7R)-7-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCCOc1cc([C@H]2C=C(c3ccc(C)cc3)Nc3nnnn32)ccc1OC(F)F
InChIInChI=1S/C20H19F2N5O2/c1-3-28-18-10-14(8-9-17(18)29-19(21)22)16-11-15(13-6-4-12(2)5-7-13)23-20-24-25-26-27(16)20/h4-11,16,19H,3H2,1-2H3,(H,23,24,26)/t16-/m1/s1
InChIKeyMLLWPEWMSPQXPK-MRXNPFEDSA-N
MW399.40 g/mol
LogP4.04
Rot. Bonds6

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

(7R)-7-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 136736497) has the molecular formula C20H19F2N5O2 and a molecular weight of 399.40 g/mol. Its IUPAC name is (7R)-7-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name(7R)-7-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID136736497
Molecular FormulaC20H19F2N5O2
Molecular Weight399.40 g/mol
Exact Mass399.15
IUPAC Name(7R)-7-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCCOc1cc([C@H]2C=C(c3ccc(C)cc3)Nc3nnnn32)ccc1OC(F)F
InChIInChI=1S/C20H19F2N5O2/c1-3-28-18-10-14(8-9-17(18)29-19(21)22)16-11-15(13-6-4-12(2)5-7-13)23-20-24-25-26-27(16)20/h4-11,16,19H,3H2,1-2H3,(H,23,24,26)/t16-/m1/s1
InChIKeyMLLWPEWMSPQXPK-MRXNPFEDSA-N
XLogP4.04
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (7R)-7-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine with MolForge

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Related Compounds

(7S)-7-[4-(difluoromethoxy)phenyl]-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 136736643
(7R)-5-(3-chloro-4-ethoxyphenyl)-7-[4-(difluoromethoxy)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 136736474
7-(4-ethoxyphenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 662198
(7R)-5-(4-chlorophenyl)-7-(4-ethoxy-3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 136852417
(7R)-7-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-(3-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136715254
7-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 3155612
(7S)-7-(3-methylphenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 136736455
(7S)-5-(4-chlorophenyl)-7-(3,4-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 1088421
(7R)-7-(3-bromo-4-fluorophenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 136736406
7-(3-fluorophenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 4586822
(7S)-7-(4-bromophenyl)-5-[4-(difluoromethoxy)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 2222407
(7S)-5-(4-methylphenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 686429

Frequently Asked Questions

What is the IUPAC name of (7R)-7-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of (7R)-7-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 136736497) is (7R)-7-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for (7R)-7-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for (7R)-7-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is CCOc1cc([C@H]2C=C(c3ccc(C)cc3)Nc3nnnn32)ccc1OC(F)F.
What is the InChIKey of (7R)-7-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is MLLWPEWMSPQXPK-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H19F2N5O2/c1-3-28-18-10-14(8-9-17(18)29-19(21)22)16-11-15(13-6-4-12(2)5-7-13)23-20-24-25-26-27(16)20/h4-11,16,19H,3H2,1-2H3,(H,23,24,26)/t16-/m1/s1.
What are the key properties of (7R)-7-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
(7R)-7-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 399.40 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136736497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).