1-[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]pyrrolidin-3-yl]ethanol

C15H18F3N5O — CID 110020020

IUPAC1-[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(Cc2nnnn2-c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C15H18F3N5O/c1-10(24)11-6-7-22(8-11)9-14-19-20-21-23(14)13-4-2-12(3-5-13)15(16,17)18/h2-5,10-11,24H,6-9H2,1H3
InChIKeyACVNPPGOPASRRA-UHFFFAOYSA-N
MW341.34 g/mol
LogP1.88
Rot. Bonds4

About 1-[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]pyrrolidin-3-yl]ethanol

1-[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]pyrrolidin-3-yl]ethanol (PubChem CID 110020020) has the molecular formula C15H18F3N5O and a molecular weight of 341.34 g/mol. Its IUPAC name is 1-[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]pyrrolidin-3-yl]ethanol
PubChem CID110020020
Molecular FormulaC15H18F3N5O
Molecular Weight341.34 g/mol
Exact Mass341.15
IUPAC Name1-[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(Cc2nnnn2-c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C15H18F3N5O/c1-10(24)11-6-7-22(8-11)9-14-19-20-21-23(14)13-4-2-12(3-5-13)15(16,17)18/h2-5,10-11,24H,6-9H2,1H3
InChIKeyACVNPPGOPASRRA-UHFFFAOYSA-N
XLogP1.88
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]pyrrolidin-3-yl]ethanol (CID 110020020) is 1-[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]pyrrolidin-3-yl]ethanol is CC(O)C1CCN(Cc2nnnn2-c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of 1-[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]pyrrolidin-3-yl]ethanol?
The InChIKey is ACVNPPGOPASRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O/c1-10(24)11-6-7-22(8-11)9-14-19-20-21-23(14)13-4-2-12(3-5-13)15(16,17)18/h2-5,10-11,24H,6-9H2,1H3.
What are the key properties of 1-[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]pyrrolidin-3-yl]ethanol?
1-[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]pyrrolidin-3-yl]ethanol has a molecular weight of 341.34 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 110020020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).