1-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-4-phenyltetrazol-5-one

C18H16N6O2 — CID 17491197

IUPAC1-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-4-phenyltetrazol-5-one
SMILESO=C(Cn1nnn(-c2ccccc2)c1=O)N1CCC(c2ccccc2)=N1
InChIInChI=1S/C18H16N6O2/c25-17(22-12-11-16(19-22)14-7-3-1-4-8-14)13-23-18(26)24(21-20-23)15-9-5-2-6-10-15/h1-10H,11-13H2
InChIKeyHHJKNQZTCOJJED-UHFFFAOYSA-N
MW348.37 g/mol
LogP1.07
Rot. Bonds4

About 1-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-4-phenyltetrazol-5-one

1-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-4-phenyltetrazol-5-one (PubChem CID 17491197) has the molecular formula C18H16N6O2 and a molecular weight of 348.37 g/mol. Its IUPAC name is 1-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-4-phenyltetrazol-5-one.

Molecular Properties

Compound Name1-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-4-phenyltetrazol-5-one
PubChem CID17491197
Molecular FormulaC18H16N6O2
Molecular Weight348.37 g/mol
Exact Mass348.13
IUPAC Name1-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-4-phenyltetrazol-5-one
SMILESO=C(Cn1nnn(-c2ccccc2)c1=O)N1CCC(c2ccccc2)=N1
InChIInChI=1S/C18H16N6O2/c25-17(22-12-11-16(19-22)14-7-3-1-4-8-14)13-23-18(26)24(21-20-23)15-9-5-2-6-10-15/h1-10H,11-13H2
InChIKeyHHJKNQZTCOJJED-UHFFFAOYSA-N
XLogP1.07
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,4-diazepan-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 31313586
4-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1-phenylpiperazin-2-one
CID 139004696
1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-[(S)-(1-phenyltetrazol-5-yl)methylsulfinyl]ethanone
CID 95763070
2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 7996295
1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-4-phenyltetrazol-5-one
CID 9379927
3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-5-propylimidazolidine-2,4-dione
CID 24608276
2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 9360332
2-(2,5-dimethylmorpholin-4-yl)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 42897571
2-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 51673134
1-(5-phenyl-3,4-dihydropyrazol-2-yl)-4-(4-pyridin-4-ylpiperazin-1-yl)butane-1,4-dione
CID 31421196
2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 134043102
[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7404923

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-4-phenyltetrazol-5-one?
The IUPAC name of 1-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-4-phenyltetrazol-5-one (CID 17491197) is 1-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-4-phenyltetrazol-5-one.
What is the SMILES notation for 1-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-4-phenyltetrazol-5-one?
The canonical SMILES for 1-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-4-phenyltetrazol-5-one is O=C(Cn1nnn(-c2ccccc2)c1=O)N1CCC(c2ccccc2)=N1.
What is the InChIKey of 1-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-4-phenyltetrazol-5-one?
The InChIKey is HHJKNQZTCOJJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O2/c25-17(22-12-11-16(19-22)14-7-3-1-4-8-14)13-23-18(26)24(21-20-23)15-9-5-2-6-10-15/h1-10H,11-13H2.
What are the key properties of 1-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-4-phenyltetrazol-5-one?
1-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-4-phenyltetrazol-5-one has a molecular weight of 348.37 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-4-phenyltetrazol-5-one is sourced from PubChem (CID 17491197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).