N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]tetrazole-5-carboxamide

C17H18F3N5O — CID 71791551

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]tetrazole-5-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1nnn(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C17H18F3N5O/c18-17(19,20)13-6-8-14(9-7-13)25-23-15(22-24-25)16(26)21-11-10-12-4-2-1-3-5-12/h4,6-9H,1-3,5,10-11H2,(H,21,26)
InChIKeyWGAWKOVYGSGISJ-UHFFFAOYSA-N
MW365.36 g/mol
LogP3.30
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]tetrazole-5-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]tetrazole-5-carboxamide (PubChem CID 71791551) has the molecular formula C17H18F3N5O and a molecular weight of 365.36 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]tetrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]tetrazole-5-carboxamide
PubChem CID71791551
Molecular FormulaC17H18F3N5O
Molecular Weight365.36 g/mol
Exact Mass365.15
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]tetrazole-5-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1nnn(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C17H18F3N5O/c18-17(19,20)13-6-8-14(9-7-13)25-23-15(22-24-25)16(26)21-11-10-12-4-2-1-3-5-12/h4,6-9H,1-3,5,10-11H2,(H,21,26)
InChIKeyWGAWKOVYGSGISJ-UHFFFAOYSA-N
XLogP3.30
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 56765504
1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108972624
N-[(2S)-1-hydroxybutan-2-yl]-2-[4-(trifluoromethyl)phenyl]tetrazole-5-carboxamide
CID 95985461
N-[2-(cyclohexen-1-yl)ethyl]-3-phenylimidazole-4-carboxamide
CID 9118961
4-carbamothioyl-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 47213059
N-[2-(cyclohexen-1-yl)ethyl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 111331630
N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-6-(trifluoromethyl)pyrimidine-4-carboxamide
CID 146078119
5-[2-(cyclohexen-1-yl)ethylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109227601
N-[2-(cyclohexen-1-yl)ethyl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 24720307
4-(benzotriazol-1-ylmethyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 26928258
4-(aminomethyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 43515270
N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide
CID 69441277

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]tetrazole-5-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]tetrazole-5-carboxamide (CID 71791551) is N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]tetrazole-5-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]tetrazole-5-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]tetrazole-5-carboxamide is O=C(NCCC1=CCCCC1)c1nnn(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]tetrazole-5-carboxamide?
The InChIKey is WGAWKOVYGSGISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N5O/c18-17(19,20)13-6-8-14(9-7-13)25-23-15(22-24-25)16(26)21-11-10-12-4-2-1-3-5-12/h4,6-9H,1-3,5,10-11H2,(H,21,26).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]tetrazole-5-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]tetrazole-5-carboxamide has a molecular weight of 365.36 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]tetrazole-5-carboxamide is sourced from PubChem (CID 71791551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).