2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide

C16H19F3N6O2 — CID 25451493

IUPAC2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
SMILESO=C(Cn1nnnc1CN1CCCC1)NCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H19F3N6O2/c17-16(18,19)27-13-5-3-12(4-6-13)9-20-15(26)11-25-14(21-22-23-25)10-24-7-1-2-8-24/h3-6H,1-2,7-11H2,(H,20,26)
InChIKeyOYKNWGYPHIPAGM-UHFFFAOYSA-N
MW384.36 g/mol
LogP1.48
Rot. Bonds7

About 2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide

2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide (PubChem CID 25451493) has the molecular formula C16H19F3N6O2 and a molecular weight of 384.36 g/mol. Its IUPAC name is 2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
PubChem CID25451493
Molecular FormulaC16H19F3N6O2
Molecular Weight384.36 g/mol
Exact Mass384.15
IUPAC Name2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
SMILESO=C(Cn1nnnc1CN1CCCC1)NCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H19F3N6O2/c17-16(18,19)27-13-5-3-12(4-6-13)9-20-15(26)11-25-14(21-22-23-25)10-24-7-1-2-8-24/h3-6H,1-2,7-11H2,(H,20,26)
InChIKeyOYKNWGYPHIPAGM-UHFFFAOYSA-N
XLogP1.48
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(5-{[isopropyl(methyl)amino]methyl}-1H-tetrazol-1-yl)-N-(2-methoxybenzyl)acetamide
CID 23723238
1-[1-[1-[(4-Methoxyphenyl)methyl]tetrazol-5-yl]-3-methylbutyl]piperidine-4-carboxamide
CID 3209951
5-(1-Cyclohexyltetrazol-5-yl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one
CID 53383717
US11845767, Example 279
CID 170795378
1-[1-[1-[(4-Methoxyphenyl)methyl]tetrazol-5-yl]butyl]piperidine-4-carboxamide
CID 655230
5-(1-Butyltetrazol-5-yl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one
CID 53300767
N,N'-dimethyl-N'-[1-[[4-(trifluoromethoxy)phenyl]methyl]tetrazol-5-yl]ethane-1,2-diamine;hydrochloride
CID 137654735
5-(1-Benzyltetrazol-5-yl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one
CID 53300756
N-propan-2-yl-7-[[4-(trifluoromethoxy)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide
CID 132468794
N,N-dimethyl-7-[[4-(trifluoromethoxy)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide
CID 132470517
5-cyclopropyl-N-[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]-2-methyl-1,2,4-triazole-3-carboxamide
CID 164633146
(5S)-5-[[2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]-3-propylimidazolidine-2,4-dione
CID 164635599

Frequently Asked Questions

What is the IUPAC name of 2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide (CID 25451493) is 2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide is O=C(Cn1nnnc1CN1CCCC1)NCc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide?
The InChIKey is OYKNWGYPHIPAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N6O2/c17-16(18,19)27-13-5-3-12(4-6-13)9-20-15(26)11-25-14(21-22-23-25)10-24-7-1-2-8-24/h3-6H,1-2,7-11H2,(H,20,26).
What are the key properties of 2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide?
2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide has a molecular weight of 384.36 g/mol, XLogP of 1.48, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 25451493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).