(1-propyltetrazol-5-yl)methyl 5-fluoro-2-methylbenzoate

C13H15FN4O2 — CID 55472995

IUPAC(1-propyltetrazol-5-yl)methyl 5-fluoro-2-methylbenzoate
SMILESCCCn1nnnc1COC(=O)c1cc(F)ccc1C
InChIInChI=1S/C13H15FN4O2/c1-3-6-18-12(15-16-17-18)8-20-13(19)11-7-10(14)5-4-9(11)2/h4-5,7H,3,6,8H2,1-2H3
InChIKeyXUEUQTIIIZTJMJ-UHFFFAOYSA-N
MW278.29 g/mol
LogP1.89
Rot. Bonds5

About (1-propyltetrazol-5-yl)methyl 5-fluoro-2-methylbenzoate

(1-propyltetrazol-5-yl)methyl 5-fluoro-2-methylbenzoate (PubChem CID 55472995) has the molecular formula C13H15FN4O2 and a molecular weight of 278.29 g/mol. Its IUPAC name is (1-propyltetrazol-5-yl)methyl 5-fluoro-2-methylbenzoate.

Molecular Properties

Compound Name(1-propyltetrazol-5-yl)methyl 5-fluoro-2-methylbenzoate
PubChem CID55472995
Molecular FormulaC13H15FN4O2
Molecular Weight278.29 g/mol
Exact Mass278.12
IUPAC Name(1-propyltetrazol-5-yl)methyl 5-fluoro-2-methylbenzoate
SMILESCCCn1nnnc1COC(=O)c1cc(F)ccc1C
InChIInChI=1S/C13H15FN4O2/c1-3-6-18-12(15-16-17-18)8-20-13(19)11-7-10(14)5-4-9(11)2/h4-5,7H,3,6,8H2,1-2H3
InChIKeyXUEUQTIIIZTJMJ-UHFFFAOYSA-N
XLogP1.89
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1-propyltetrazol-5-yl)methyl 5-fluoro-2-methylbenzoate 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

(1-propyltetrazol-5-yl)methyl 2,4,6-trimethylbenzoate
CID 55399432
(1-propyltetrazol-5-yl)methyl 2-(difluoromethoxy)benzoate
CID 55399271
(1-propyltetrazol-5-yl)methyl 2,3-dimethoxybenzoate
CID 9203407
ethane;ethyl 5-fluoro-2-methylbenzoate
CID 143556291
(1-propyltetrazol-5-yl)methyl 5-ethyl-4-methylthiophene-2-carboxylate
CID 55401994
(1-propyltetrazol-5-yl)methyl 2,3-dimethylquinoxaline-6-carboxylate
CID 8628062
(1-propyltetrazol-5-yl)methyl furan-3-carboxylate
CID 55463280
(1-propyltetrazol-5-yl)methyl anthracene-9-carboxylate
CID 9231186
(1-propyltetrazol-5-yl)methyl 1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 8841617
(1-propyltetrazol-5-yl)methyl 9,10-dioxoanthracene-1-carboxylate
CID 9019943
(1-propyltetrazol-5-yl)methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 55401785
(1-propyltetrazol-5-yl)methyl 2-(2-fluoroanilino)pyridine-3-carboxylate
CID 27027535

Frequently Asked Questions

What is the IUPAC name of (1-propyltetrazol-5-yl)methyl 5-fluoro-2-methylbenzoate?
The IUPAC name of (1-propyltetrazol-5-yl)methyl 5-fluoro-2-methylbenzoate (CID 55472995) is (1-propyltetrazol-5-yl)methyl 5-fluoro-2-methylbenzoate.
What is the SMILES notation for (1-propyltetrazol-5-yl)methyl 5-fluoro-2-methylbenzoate?
The canonical SMILES for (1-propyltetrazol-5-yl)methyl 5-fluoro-2-methylbenzoate is CCCn1nnnc1COC(=O)c1cc(F)ccc1C.
What is the InChIKey of (1-propyltetrazol-5-yl)methyl 5-fluoro-2-methylbenzoate?
The InChIKey is XUEUQTIIIZTJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O2/c1-3-6-18-12(15-16-17-18)8-20-13(19)11-7-10(14)5-4-9(11)2/h4-5,7H,3,6,8H2,1-2H3.
What are the key properties of (1-propyltetrazol-5-yl)methyl 5-fluoro-2-methylbenzoate?
(1-propyltetrazol-5-yl)methyl 5-fluoro-2-methylbenzoate has a molecular weight of 278.29 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propyltetrazol-5-yl)methyl 5-fluoro-2-methylbenzoate is sourced from PubChem (CID 55472995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).