1-[2-methyl-2-[(3,4,5-trifluorophenyl)methyl]pyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone

C15H16F3N5O — CID 146137952

IUPAC1-[2-methyl-2-[(3,4,5-trifluorophenyl)methyl]pyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone
SMILESCC1(Cc2cc(F)c(F)c(F)c2)CCCN1C(=O)Cn1cnnn1
InChIInChI=1S/C15H16F3N5O/c1-15(7-10-5-11(16)14(18)12(17)6-10)3-2-4-23(15)13(24)8-22-9-19-20-21-22/h5-6,9H,2-4,7-8H2,1H3
InChIKeyOBYMQSWGNLTILV-UHFFFAOYSA-N
MW339.32 g/mol
LogP1.71
Rot. Bonds4

About 1-[2-methyl-2-[(3,4,5-trifluorophenyl)methyl]pyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone

1-[2-methyl-2-[(3,4,5-trifluorophenyl)methyl]pyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone (PubChem CID 146137952) has the molecular formula C15H16F3N5O and a molecular weight of 339.32 g/mol. Its IUPAC name is 1-[2-methyl-2-[(3,4,5-trifluorophenyl)methyl]pyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[2-methyl-2-[(3,4,5-trifluorophenyl)methyl]pyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone
PubChem CID146137952
Molecular FormulaC15H16F3N5O
Molecular Weight339.32 g/mol
Exact Mass339.13
IUPAC Name1-[2-methyl-2-[(3,4,5-trifluorophenyl)methyl]pyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone
SMILESCC1(Cc2cc(F)c(F)c(F)c2)CCCN1C(=O)Cn1cnnn1
InChIInChI=1S/C15H16F3N5O/c1-15(7-10-5-11(16)14(18)12(17)6-10)3-2-4-23(15)13(24)8-22-9-19-20-21-22/h5-6,9H,2-4,7-8H2,1H3
InChIKeyOBYMQSWGNLTILV-UHFFFAOYSA-N
XLogP1.71
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 1-[2-methyl-2-[(3,4,5-trifluorophenyl)methyl]pyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone 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

2-methyl-1-[2-(tetrazol-1-yl)acetyl]piperidine-2-carboxylic acid
CID 113430628
1-[(1R)-1-methyl-1-(trifluoromethyl)-3,4-dihydroisoquinolin-2-yl]-2-(tetrazol-1-yl)ethanone
CID 124853377
3-ethyl-1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxylic acid
CID 63134611
1-[4-[1-(4-chlorophenyl)cyclopentanecarbonyl]piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 78905225
1-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 70729161
3-ethyl-4-[2-(tetrazol-1-yl)acetyl]piperazine-2,6-dione
CID 66069080
N-[(3,4-difluorophenyl)methyl]-N-methyl-2-(tetrazol-1-yl)acetamide
CID 51076670
(1-ethylpyrazol-3-yl)-[2-[(2-fluorophenyl)methyl]-2-methylpyrrolidin-1-yl]methanone
CID 136549425
1-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 82760433
[2-[(3-chloro-4-fluorophenyl)methyl]-2-methylpyrrolidin-1-yl]-([1,2,4]triazolo[4,3-a]pyrazin-6-yl)methanone
CID 154847090
4-phenyl-1-[2-(tetrazol-1-yl)acetyl]piperidine-4-carboxylic acid
CID 119164517
3-(4-ethylphenyl)-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]propan-1-one
CID 78904858

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-2-[(3,4,5-trifluorophenyl)methyl]pyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone?
The IUPAC name of 1-[2-methyl-2-[(3,4,5-trifluorophenyl)methyl]pyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone (CID 146137952) is 1-[2-methyl-2-[(3,4,5-trifluorophenyl)methyl]pyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone.
What is the SMILES notation for 1-[2-methyl-2-[(3,4,5-trifluorophenyl)methyl]pyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone?
The canonical SMILES for 1-[2-methyl-2-[(3,4,5-trifluorophenyl)methyl]pyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone is CC1(Cc2cc(F)c(F)c(F)c2)CCCN1C(=O)Cn1cnnn1.
What is the InChIKey of 1-[2-methyl-2-[(3,4,5-trifluorophenyl)methyl]pyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone?
The InChIKey is OBYMQSWGNLTILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5O/c1-15(7-10-5-11(16)14(18)12(17)6-10)3-2-4-23(15)13(24)8-22-9-19-20-21-22/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of 1-[2-methyl-2-[(3,4,5-trifluorophenyl)methyl]pyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone?
1-[2-methyl-2-[(3,4,5-trifluorophenyl)methyl]pyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone has a molecular weight of 339.32 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-2-[(3,4,5-trifluorophenyl)methyl]pyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone is sourced from PubChem (CID 146137952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).