1-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]cyclopentan-1-ol

C20H20F3N5O — CID 135371787

IUPAC1-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]cyclopentan-1-ol
SMILESOC1(Cn2nnc(-c3ccccc3Nc3ccc(C(F)(F)F)cc3)n2)CCCC1
InChIInChI=1S/C20H20F3N5O/c21-20(22,23)14-7-9-15(10-8-14)24-17-6-2-1-5-16(17)18-25-27-28(26-18)13-19(29)11-3-4-12-19/h1-2,5-10,24,29H,3-4,11-13H2
InChIKeyUPUHXDFJBIQHFY-UHFFFAOYSA-N
MW403.41 g/mol
LogP4.41
Rot. Bonds5

About 1-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]cyclopentan-1-ol

1-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]cyclopentan-1-ol (PubChem CID 135371787) has the molecular formula C20H20F3N5O and a molecular weight of 403.41 g/mol. Its IUPAC name is 1-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]cyclopentan-1-ol
PubChem CID135371787
Molecular FormulaC20H20F3N5O
Molecular Weight403.41 g/mol
Exact Mass403.16
IUPAC Name1-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]cyclopentan-1-ol
SMILESOC1(Cn2nnc(-c3ccccc3Nc3ccc(C(F)(F)F)cc3)n2)CCCC1
InChIInChI=1S/C20H20F3N5O/c21-20(22,23)14-7-9-15(10-8-14)24-17-6-2-1-5-16(17)18-25-27-28(26-18)13-19(29)11-3-4-12-19/h1-2,5-10,24,29H,3-4,11-13H2
InChIKeyUPUHXDFJBIQHFY-UHFFFAOYSA-N
XLogP4.41
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(2-Butyltetrazol-5-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122455248
3-[[5-[2-[4-(Trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]oxan-3-ol
CID 135371571
N-[3-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]propyl]acetamide
CID 135371577
1-[[5-[2-[4-(Trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]cyclohexanol
CID 135371580
2-[2-[(2R,3R)-3-methoxybutan-2-yl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline
CID 135371672
2-[5-[5-Ethyl-2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol
CID 135371690
2-[2-[(2S,3S)-3-methoxybutan-2-yl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline
CID 135371700
2-(5-(2-((3-fluorophenyl)amino)phenyl)-2H-tetrazol-2-yl)ethanol
CID 135371774
2-[5-[3-Fluoro-2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol
CID 135372018
1-Cyclopropyl-2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanone
CID 135372020
1-Phenyl-3-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]piperidin-3-ol
CID 135372050
3-[[5-[2-[4-(Trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]oxolan-3-ol
CID 135372054

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]cyclopentan-1-ol (CID 135371787) is 1-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]cyclopentan-1-ol is OC1(Cn2nnc(-c3ccccc3Nc3ccc(C(F)(F)F)cc3)n2)CCCC1.
What is the InChIKey of 1-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]cyclopentan-1-ol?
The InChIKey is UPUHXDFJBIQHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O/c21-20(22,23)14-7-9-15(10-8-14)24-17-6-2-1-5-16(17)18-25-27-28(26-18)13-19(29)11-3-4-12-19/h1-2,5-10,24,29H,3-4,11-13H2.
What are the key properties of 1-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]cyclopentan-1-ol?
1-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]cyclopentan-1-ol has a molecular weight of 403.41 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]cyclopentan-1-ol is sourced from PubChem (CID 135371787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).