ethyl 5-hydroxy-7-(4-methoxyphenyl)-5-(trifluoromethyl)-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxylate

C15H16F3N5O4 — CID 135405839

IUPACethyl 5-hydroxy-7-(4-methoxyphenyl)-5-(trifluoromethyl)-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)C1C(c2ccc(OC)cc2)n2nnnc2NC1(O)C(F)(F)F
InChIInChI=1S/C15H16F3N5O4/c1-3-27-12(24)10-11(8-4-6-9(26-2)7-5-8)23-13(20-21-22-23)19-14(10,25)15(16,17)18/h4-7,10-11,25H,3H2,1-2H3,(H,19,20,22)
InChIKeyJMVUMEGTGZVPDJ-UHFFFAOYSA-N
MW387.32 g/mol
LogP1.13
Rot. Bonds4

About ethyl 5-hydroxy-7-(4-methoxyphenyl)-5-(trifluoromethyl)-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxylate

ethyl 5-hydroxy-7-(4-methoxyphenyl)-5-(trifluoromethyl)-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 135405839) has the molecular formula C15H16F3N5O4 and a molecular weight of 387.32 g/mol. Its IUPAC name is ethyl 5-hydroxy-7-(4-methoxyphenyl)-5-(trifluoromethyl)-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 5-hydroxy-7-(4-methoxyphenyl)-5-(trifluoromethyl)-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID135405839
Molecular FormulaC15H16F3N5O4
Molecular Weight387.32 g/mol
Exact Mass387.12
IUPAC Nameethyl 5-hydroxy-7-(4-methoxyphenyl)-5-(trifluoromethyl)-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)C1C(c2ccc(OC)cc2)n2nnnc2NC1(O)C(F)(F)F
InChIInChI=1S/C15H16F3N5O4/c1-3-27-12(24)10-11(8-4-6-9(26-2)7-5-8)23-13(20-21-22-23)19-14(10,25)15(16,17)18/h4-7,10-11,25H,3H2,1-2H3,(H,19,20,22)
InChIKeyJMVUMEGTGZVPDJ-UHFFFAOYSA-N
XLogP1.13
TPSA111.39 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.32
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze ethyl 5-hydroxy-7-(4-methoxyphenyl)-5-(trifluoromethyl)-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-hydroxy-7-(4-methoxyphenyl)-5-methyl-3-(trifluoromethyl)-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylate
CID 3875506
Pentyl 7-[4-(difluoromethoxy)phenyl]-5-methyl-4H,7H-[1,2,3,4]tetrazolo[1,5-A]pyrimidine-6-carboxylate
CID 3426370
Ethyl 7-[4-(difluoromethoxy)phenyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 4113184
methyl 5-hydroxy-7-(3-methoxyphenyl)-5-methyl-2-(trifluoromethyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 4687166
Pentyl 7-[4-(difluoromethoxy)phenyl]-5-methyl-4H,7H-[1,2,4]triazolo[1,5-A]pyrimidine-6-carboxylate
CID 135412480
Cyclohexyl 7-[4-(difluoromethoxy)phenyl]-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
CID 135468328
Ethyl 7-(4-methoxyphenyl)-5-(trifluoromethyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
CID 135721632
5-Methyl-7-[4-(trifluoromethoxy)phenyl]-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 91142492
Benzyl 5-methyl-7-[4-(trifluoromethoxy)phenyl]-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
CID 91586326
Benzyl 5-methyl-7-[4-(trifluoromethoxy)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
CID 135959946
Isopropyl 7-(4-methoxyphenyl)-5-methyl-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxylate
CID 2982844
ethyl (7S)-7-[4-(difluoromethoxy)phenyl]-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 1532749

Frequently Asked Questions

What is the IUPAC name of ethyl 5-hydroxy-7-(4-methoxyphenyl)-5-(trifluoromethyl)-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 5-hydroxy-7-(4-methoxyphenyl)-5-(trifluoromethyl)-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxylate (CID 135405839) is ethyl 5-hydroxy-7-(4-methoxyphenyl)-5-(trifluoromethyl)-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 5-hydroxy-7-(4-methoxyphenyl)-5-(trifluoromethyl)-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 5-hydroxy-7-(4-methoxyphenyl)-5-(trifluoromethyl)-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxylate is CCOC(=O)C1C(c2ccc(OC)cc2)n2nnnc2NC1(O)C(F)(F)F.
What is the InChIKey of ethyl 5-hydroxy-7-(4-methoxyphenyl)-5-(trifluoromethyl)-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is JMVUMEGTGZVPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5O4/c1-3-27-12(24)10-11(8-4-6-9(26-2)7-5-8)23-13(20-21-22-23)19-14(10,25)15(16,17)18/h4-7,10-11,25H,3H2,1-2H3,(H,19,20,22).
What are the key properties of ethyl 5-hydroxy-7-(4-methoxyphenyl)-5-(trifluoromethyl)-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxylate?
ethyl 5-hydroxy-7-(4-methoxyphenyl)-5-(trifluoromethyl)-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 387.32 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-hydroxy-7-(4-methoxyphenyl)-5-(trifluoromethyl)-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 135405839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).