pyrrolidin-1-yl-[2-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]methanone

C13H12F3N5O2 — CID 71791619

IUPACpyrrolidin-1-yl-[2-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]methanone
SMILESO=C(c1nnn(-c2ccc(OC(F)(F)F)cc2)n1)N1CCCC1
InChIInChI=1S/C13H12F3N5O2/c14-13(15,16)23-10-5-3-9(4-6-10)21-18-11(17-19-21)12(22)20-7-1-2-8-20/h3-6H,1-2,7-8H2
InChIKeyJDXSVZSWRBHUTD-UHFFFAOYSA-N
MW327.27 g/mol
LogP1.80
Rot. Bonds3

About pyrrolidin-1-yl-[2-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]methanone

pyrrolidin-1-yl-[2-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]methanone (PubChem CID 71791619) has the molecular formula C13H12F3N5O2 and a molecular weight of 327.27 g/mol. Its IUPAC name is pyrrolidin-1-yl-[2-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl-[2-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]methanone
PubChem CID71791619
Molecular FormulaC13H12F3N5O2
Molecular Weight327.27 g/mol
Exact Mass327.09
IUPAC Namepyrrolidin-1-yl-[2-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]methanone
SMILESO=C(c1nnn(-c2ccc(OC(F)(F)F)cc2)n1)N1CCCC1
InChIInChI=1S/C13H12F3N5O2/c14-13(15,16)23-10-5-3-9(4-6-10)21-18-11(17-19-21)12(22)20-7-1-2-8-20/h3-6H,1-2,7-8H2
InChIKeyJDXSVZSWRBHUTD-UHFFFAOYSA-N
XLogP1.80
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(4-fluorophenyl)piperazin-1-yl]-[2-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]methanone
CID 71791623
2-[4-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]tetrazole-5-carboxamide
CID 71792227
methyl 2-[methyl-[2-[4-(trifluoromethoxy)phenyl]tetrazole-5-carbonyl]amino]benzoate
CID 71791643
N-(3-methoxypropyl)-2-[4-(trifluoromethoxy)phenyl]tetrazole-5-carboxamide
CID 71791626
N-(2,2-dimethoxyethyl)-2-[4-(trifluoromethoxy)phenyl]tetrazole-5-carboxamide
CID 71791629
ethyl 1-[2-[4-(trifluoromethyl)phenyl]tetrazole-5-carbonyl]piperidine-3-carboxylate
CID 71791537
[2-(4-fluorophenyl)tetrazol-5-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 71791476
N-[4-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide
CID 47193651
[4-[4-(trifluoromethoxy)phenyl]phenyl] pyrrolidine-1-carboxylate
CID 141055177
[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 87029924
N-[4-(pyrrolidine-1-carbonyl)phenyl]-4-(trifluoromethoxy)benzamide
CID 30684530
N-[2-(1H-indol-3-yl)ethyl]-2-[4-(trifluoromethoxy)phenyl]tetrazole-5-carboxamide
CID 71791639

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-[2-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]methanone?
The IUPAC name of pyrrolidin-1-yl-[2-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]methanone (CID 71791619) is pyrrolidin-1-yl-[2-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]methanone.
What is the SMILES notation for pyrrolidin-1-yl-[2-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]methanone?
The canonical SMILES for pyrrolidin-1-yl-[2-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]methanone is O=C(c1nnn(-c2ccc(OC(F)(F)F)cc2)n1)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl-[2-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]methanone?
The InChIKey is JDXSVZSWRBHUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N5O2/c14-13(15,16)23-10-5-3-9(4-6-10)21-18-11(17-19-21)12(22)20-7-1-2-8-20/h3-6H,1-2,7-8H2.
What are the key properties of pyrrolidin-1-yl-[2-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]methanone?
pyrrolidin-1-yl-[2-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]methanone has a molecular weight of 327.27 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl-[2-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]methanone is sourced from PubChem (CID 71791619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).