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

C14H16F3N5O — CID 111442689

IUPAC[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]pyrrolidin-3-yl]methanol
SMILESOCC1CCN(Cc2nnnn2-c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C14H16F3N5O/c15-14(16,17)11-1-3-12(4-2-11)22-13(18-19-20-22)8-21-6-5-10(7-21)9-23/h1-4,10,23H,5-9H2
InChIKeyPYBSFOLESGJBND-UHFFFAOYSA-N
MW327.31 g/mol
LogP1.50
Rot. Bonds4

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

[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]pyrrolidin-3-yl]methanol (PubChem CID 111442689) has the molecular formula C14H16F3N5O and a molecular weight of 327.31 g/mol. Its IUPAC name is [1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]pyrrolidin-3-yl]methanol
PubChem CID111442689
Molecular FormulaC14H16F3N5O
Molecular Weight327.31 g/mol
Exact Mass327.13
IUPAC Name[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]pyrrolidin-3-yl]methanol
SMILESOCC1CCN(Cc2nnnn2-c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C14H16F3N5O/c15-14(16,17)11-1-3-12(4-2-11)22-13(18-19-20-22)8-21-6-5-10(7-21)9-23/h1-4,10,23H,5-9H2
InChIKeyPYBSFOLESGJBND-UHFFFAOYSA-N
XLogP1.50
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]pyrrolidin-3-yl]methanol (CID 111442689) is [1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]pyrrolidin-3-yl]methanol is OCC1CCN(Cc2nnnn2-c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of [1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]pyrrolidin-3-yl]methanol?
The InChIKey is PYBSFOLESGJBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O/c15-14(16,17)11-1-3-12(4-2-11)22-13(18-19-20-22)8-21-6-5-10(7-21)9-23/h1-4,10,23H,5-9H2.
What are the key properties of [1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]pyrrolidin-3-yl]methanol?
[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]pyrrolidin-3-yl]methanol has a molecular weight of 327.31 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 111442689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).