ethyl 5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]tetrazolo[1,5-a]pyrimidine-7-carboxylate

C16H15FN6O3 — CID 25054042

IUPACethyl 5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]tetrazolo[1,5-a]pyrimidine-7-carboxylate
SMILESCCOC(=O)c1cc(C(=O)NCc2ccc(F)c(C)c2)nc2nnnn12
InChIInChI=1S/C16H15FN6O3/c1-3-26-15(25)13-7-12(19-16-20-21-22-23(13)16)14(24)18-8-10-4-5-11(17)9(2)6-10/h4-7H,3,8H2,1-2H3,(H,18,24)
InChIKeyMLZBDTKYENHHCV-UHFFFAOYSA-N
MW358.33 g/mol
LogP1.07
Rot. Bonds5

About ethyl 5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]tetrazolo[1,5-a]pyrimidine-7-carboxylate

ethyl 5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]tetrazolo[1,5-a]pyrimidine-7-carboxylate (PubChem CID 25054042) has the molecular formula C16H15FN6O3 and a molecular weight of 358.33 g/mol. Its IUPAC name is ethyl 5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]tetrazolo[1,5-a]pyrimidine-7-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]tetrazolo[1,5-a]pyrimidine-7-carboxylate
PubChem CID25054042
Molecular FormulaC16H15FN6O3
Molecular Weight358.33 g/mol
Exact Mass358.12
IUPAC Nameethyl 5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]tetrazolo[1,5-a]pyrimidine-7-carboxylate
SMILESCCOC(=O)c1cc(C(=O)NCc2ccc(F)c(C)c2)nc2nnnn12
InChIInChI=1S/C16H15FN6O3/c1-3-26-15(25)13-7-12(19-16-20-21-22-23(13)16)14(24)18-8-10-4-5-11(17)9(2)6-10/h4-7H,3,8H2,1-2H3,(H,18,24)
InChIKeyMLZBDTKYENHHCV-UHFFFAOYSA-N
XLogP1.07
TPSA111.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.33
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]tetrazolo[1,5-a]pyrimidine-7-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]tetrazolo[1,5-a]pyrimidine-7-carboxylate?
The IUPAC name of ethyl 5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]tetrazolo[1,5-a]pyrimidine-7-carboxylate (CID 25054042) is ethyl 5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]tetrazolo[1,5-a]pyrimidine-7-carboxylate.
What is the SMILES notation for ethyl 5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]tetrazolo[1,5-a]pyrimidine-7-carboxylate?
The canonical SMILES for ethyl 5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]tetrazolo[1,5-a]pyrimidine-7-carboxylate is CCOC(=O)c1cc(C(=O)NCc2ccc(F)c(C)c2)nc2nnnn12.
What is the InChIKey of ethyl 5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]tetrazolo[1,5-a]pyrimidine-7-carboxylate?
The InChIKey is MLZBDTKYENHHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN6O3/c1-3-26-15(25)13-7-12(19-16-20-21-22-23(13)16)14(24)18-8-10-4-5-11(17)9(2)6-10/h4-7H,3,8H2,1-2H3,(H,18,24).
What are the key properties of ethyl 5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]tetrazolo[1,5-a]pyrimidine-7-carboxylate?
ethyl 5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]tetrazolo[1,5-a]pyrimidine-7-carboxylate has a molecular weight of 358.33 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]tetrazolo[1,5-a]pyrimidine-7-carboxylate is sourced from PubChem (CID 25054042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).