N-(3-methoxypropyl)-2-[4-(trifluoromethoxy)phenyl]tetrazole-5-carboxamide

C13H14F3N5O3 — CID 71791626

IUPACN-(3-methoxypropyl)-2-[4-(trifluoromethoxy)phenyl]tetrazole-5-carboxamide
SMILESCOCCCNC(=O)c1nnn(-c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C13H14F3N5O3/c1-23-8-2-7-17-12(22)11-18-20-21(19-11)9-3-5-10(6-4-9)24-13(14,15)16/h3-6H,2,7-8H2,1H3,(H,17,22)
InChIKeyKVFLHTTXUDFVJW-UHFFFAOYSA-N
MW345.28 g/mol
LogP1.33
Rot. Bonds7

About N-(3-methoxypropyl)-2-[4-(trifluoromethoxy)phenyl]tetrazole-5-carboxamide

N-(3-methoxypropyl)-2-[4-(trifluoromethoxy)phenyl]tetrazole-5-carboxamide (PubChem CID 71791626) has the molecular formula C13H14F3N5O3 and a molecular weight of 345.28 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[4-(trifluoromethoxy)phenyl]tetrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[4-(trifluoromethoxy)phenyl]tetrazole-5-carboxamide
PubChem CID71791626
Molecular FormulaC13H14F3N5O3
Molecular Weight345.28 g/mol
Exact Mass345.10
IUPAC NameN-(3-methoxypropyl)-2-[4-(trifluoromethoxy)phenyl]tetrazole-5-carboxamide
SMILESCOCCCNC(=O)c1nnn(-c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C13H14F3N5O3/c1-23-8-2-7-17-12(22)11-18-20-21(19-11)9-3-5-10(6-4-9)24-13(14,15)16/h3-6H,2,7-8H2,1H3,(H,17,22)
InChIKeyKVFLHTTXUDFVJW-UHFFFAOYSA-N
XLogP1.33
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-dimethoxyethyl)-2-[4-(trifluoromethoxy)phenyl]tetrazole-5-carboxamide
CID 71791629
N-[2-(1H-indol-3-yl)ethyl]-2-[4-(trifluoromethoxy)phenyl]tetrazole-5-carboxamide
CID 71791639
methyl 2-[methyl-[2-[4-(trifluoromethoxy)phenyl]tetrazole-5-carbonyl]amino]benzoate
CID 71791643
2-[4-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]tetrazole-5-carboxamide
CID 71792227
pyrrolidin-1-yl-[2-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]methanone
CID 71791619
2-phenyl-N-propyltetrazole-5-carboxamide
CID 71791264
N-(3-methoxypropyl)-4-(trifluoromethoxy)aniline
CID 54935363
[4-(4-fluorophenyl)piperazin-1-yl]-[2-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]methanone
CID 71791623
N-(3-methoxypropyl)-4-[4-(trifluoromethoxy)anilino]quinazoline-7-carboxamide
CID 71001471
N-(3-methoxypropyl)-4-[5-methyl-6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzamide
CID 42635274
5-amino-N-[2-(4-methylphenyl)ethyl]-1-[4-(trifluoromethoxy)phenyl]triazole-4-carboxamide
CID 4081976
2-(4-chlorophenyl)-5-(hydroxymethyl)-N-(3-methoxypropyl)triazole-4-carboxamide
CID 23608045

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[4-(trifluoromethoxy)phenyl]tetrazole-5-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-2-[4-(trifluoromethoxy)phenyl]tetrazole-5-carboxamide (CID 71791626) is N-(3-methoxypropyl)-2-[4-(trifluoromethoxy)phenyl]tetrazole-5-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[4-(trifluoromethoxy)phenyl]tetrazole-5-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[4-(trifluoromethoxy)phenyl]tetrazole-5-carboxamide is COCCCNC(=O)c1nnn(-c2ccc(OC(F)(F)F)cc2)n1.
What is the InChIKey of N-(3-methoxypropyl)-2-[4-(trifluoromethoxy)phenyl]tetrazole-5-carboxamide?
The InChIKey is KVFLHTTXUDFVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N5O3/c1-23-8-2-7-17-12(22)11-18-20-21(19-11)9-3-5-10(6-4-9)24-13(14,15)16/h3-6H,2,7-8H2,1H3,(H,17,22).
What are the key properties of N-(3-methoxypropyl)-2-[4-(trifluoromethoxy)phenyl]tetrazole-5-carboxamide?
N-(3-methoxypropyl)-2-[4-(trifluoromethoxy)phenyl]tetrazole-5-carboxamide has a molecular weight of 345.28 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[4-(trifluoromethoxy)phenyl]tetrazole-5-carboxamide is sourced from PubChem (CID 71791626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).