1-(4-ethylphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]propan-1-one

C19H20N4O — CID 42981745

IUPAC1-(4-ethylphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]propan-1-one
SMILESCCc1ccc(C(=O)C(C)n2nnc(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C19H20N4O/c1-4-15-7-11-16(12-8-15)18(24)14(3)23-21-19(20-22-23)17-9-5-13(2)6-10-17/h5-12,14H,4H2,1-3H3
InChIKeyXFHMZOSDCWZCJC-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.65
Rot. Bonds5

About 1-(4-ethylphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]propan-1-one

1-(4-ethylphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]propan-1-one (PubChem CID 42981745) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]propan-1-one.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]propan-1-one
PubChem CID42981745
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name1-(4-ethylphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]propan-1-one
SMILESCCc1ccc(C(=O)C(C)n2nnc(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C19H20N4O/c1-4-15-7-11-16(12-8-15)18(24)14(3)23-21-19(20-22-23)17-9-5-13(2)6-10-17/h5-12,14H,4H2,1-3H3
InChIKeyXFHMZOSDCWZCJC-UHFFFAOYSA-N
XLogP3.65
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]propanamide
CID 31458753
(2R)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]propanamide
CID 51874898
2-[5-(4-bromophenyl)tetrazol-2-yl]-1-(3,4-dimethoxyphenyl)propan-1-one
CID 60603269
methyl 4-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]propanoylamino]methyl]benzoate
CID 51311301
[4-(2-propan-2-yltetrazol-5-yl)phenyl]methanol
CID 84786119
ethyl 2,4-dimethyl-5-[(2S)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanoyl]-1H-pyrrole-3-carboxylate
CID 7489694
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 46647379
1-[2-[5-(4-methylphenyl)tetrazol-2-yl]propanoyl]imidazolidin-2-one
CID 46583150
(2R)-2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 31395317
1-(4-ethylphenyl)-2-[(4-methylphenyl)methylamino]propan-1-one
CID 82100240
N-(2-methylcyclohexyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]propanamide
CID 42982198
(2R)-1-(4-ethylphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropan-1-one
CID 9407742

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]propan-1-one?
The IUPAC name of 1-(4-ethylphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]propan-1-one (CID 42981745) is 1-(4-ethylphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]propan-1-one.
What is the SMILES notation for 1-(4-ethylphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]propan-1-one?
The canonical SMILES for 1-(4-ethylphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]propan-1-one is CCc1ccc(C(=O)C(C)n2nnc(-c3ccc(C)cc3)n2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]propan-1-one?
The InChIKey is XFHMZOSDCWZCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-4-15-7-11-16(12-8-15)18(24)14(3)23-21-19(20-22-23)17-9-5-13(2)6-10-17/h5-12,14H,4H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]propan-1-one?
1-(4-ethylphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]propan-1-one has a molecular weight of 320.40 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]propan-1-one is sourced from PubChem (CID 42981745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).