1-[2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pentan-1-ol

C13H15F3N4O — CID 156693774

IUPAC1-[2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pentan-1-ol
SMILESCCCCC(O)c1ccc(C(F)(F)F)cc1-c1nn[nH]n1
InChIInChI=1S/C13H15F3N4O/c1-2-3-4-11(21)9-6-5-8(13(14,15)16)7-10(9)12-17-19-20-18-12/h5-7,11,21H,2-4H2,1H3,(H,17,18,19,20)
InChIKeyNIRSUCLTRSKBPB-UHFFFAOYSA-N
MW300.28 g/mol
LogP3.11
Rot. Bonds5

About 1-[2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pentan-1-ol

1-[2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pentan-1-ol (PubChem CID 156693774) has the molecular formula C13H15F3N4O and a molecular weight of 300.28 g/mol. Its IUPAC name is 1-[2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pentan-1-ol.

Molecular Properties

Compound Name1-[2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pentan-1-ol
PubChem CID156693774
Molecular FormulaC13H15F3N4O
Molecular Weight300.28 g/mol
Exact Mass300.12
IUPAC Name1-[2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pentan-1-ol
SMILESCCCCC(O)c1ccc(C(F)(F)F)cc1-c1nn[nH]n1
InChIInChI=1S/C13H15F3N4O/c1-2-3-4-11(21)9-6-5-8(13(14,15)16)7-10(9)12-17-19-20-18-12/h5-7,11,21H,2-4H2,1H3,(H,17,18,19,20)
InChIKeyNIRSUCLTRSKBPB-UHFFFAOYSA-N
XLogP3.11
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pentan-1-ol 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'-(1H-Tetrazol-5-yl)biphenyl-4-yl)methanol
CID 11507097
1-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]pentan-1-ol
CID 155675476
4-(1H-Tetrazol-5-YL)benzyl alcohol
CID 22633334
[3-(2H-tetrazol-5-yl)phenyl]methanol
CID 23437784
1-[2-(2H-tetrazol-5-yl)phenyl]pentan-1-ol
CID 155675457
1-[2-(2H-tetrazol-5-yl)phenyl]butan-1-ol
CID 155675470
1-[2-(2H-tetrazol-5-yl)phenyl]hexan-1-ol
CID 155675478
1-[2-(2-Methyltetrazol-5-yl)phenyl]pentan-1-ol
CID 177642426
1-[4-(cyclohexen-1-yl)-2-(2H-tetrazol-5-yl)phenyl]butan-1-ol
CID 177643783
1-[2-(2H-tetrazol-5-yl)phenyl]ethanol
CID 14983929
[4-[2-(4-fluorophenyl)-3-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenyl]methanol
CID 57247715
[3-[1-(4-fluorophenyl)-3-[3-(2H-tetrazol-5-yl)phenyl]propan-2-yl]phenyl]methanol
CID 57298885

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pentan-1-ol?
The IUPAC name of 1-[2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pentan-1-ol (CID 156693774) is 1-[2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pentan-1-ol.
What is the SMILES notation for 1-[2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pentan-1-ol?
The canonical SMILES for 1-[2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pentan-1-ol is CCCCC(O)c1ccc(C(F)(F)F)cc1-c1nn[nH]n1.
What is the InChIKey of 1-[2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pentan-1-ol?
The InChIKey is NIRSUCLTRSKBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4O/c1-2-3-4-11(21)9-6-5-8(13(14,15)16)7-10(9)12-17-19-20-18-12/h5-7,11,21H,2-4H2,1H3,(H,17,18,19,20).
What are the key properties of 1-[2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pentan-1-ol?
1-[2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pentan-1-ol has a molecular weight of 300.28 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pentan-1-ol is sourced from PubChem (CID 156693774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).