1-[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(5-thiophen-2-yltetrazol-2-yl)ethanone

C18H14N6O3S — CID 9463616

IUPAC1-[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(5-thiophen-2-yltetrazol-2-yl)ethanone
SMILESO=C(Cn1nnc(-c2cccs2)n1)N1N=C(c2ccco2)C[C@@H]1c1ccco1
InChIInChI=1S/C18H14N6O3S/c25-17(11-23-21-18(19-22-23)16-6-3-9-28-16)24-13(15-5-2-8-27-15)10-12(20-24)14-4-1-7-26-14/h1-9,13H,10-11H2/t13-/m1/s1
InChIKeyCJULLVJVIVPKLX-CYBMUJFWSA-N
MW394.42 g/mol
LogP2.97
Rot. Bonds5

About 1-[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(5-thiophen-2-yltetrazol-2-yl)ethanone

1-[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(5-thiophen-2-yltetrazol-2-yl)ethanone (PubChem CID 9463616) has the molecular formula C18H14N6O3S and a molecular weight of 394.42 g/mol. Its IUPAC name is 1-[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(5-thiophen-2-yltetrazol-2-yl)ethanone.

Molecular Properties

Compound Name1-[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(5-thiophen-2-yltetrazol-2-yl)ethanone
PubChem CID9463616
Molecular FormulaC18H14N6O3S
Molecular Weight394.42 g/mol
Exact Mass394.08
IUPAC Name1-[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(5-thiophen-2-yltetrazol-2-yl)ethanone
SMILESO=C(Cn1nnc(-c2cccs2)n1)N1N=C(c2ccco2)C[C@@H]1c1ccco1
InChIInChI=1S/C18H14N6O3S/c25-17(11-23-21-18(19-22-23)16-6-3-9-28-16)24-13(15-5-2-8-27-15)10-12(20-24)14-4-1-7-26-14/h1-9,13H,10-11H2/t13-/m1/s1
InChIKeyCJULLVJVIVPKLX-CYBMUJFWSA-N
XLogP2.97
TPSA102.55 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

1-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(5-thiophen-2-yltetrazol-2-yl)ethanone
CID 17395280
4-[2-[2-[(3S)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]tetrazol-5-yl]benzamide
CID 42028601
2-chloro-1-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 7128484
1-[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 40789919
1-[(3S)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-(5-thiophen-3-yltetrazol-2-yl)ethanone
CID 41249193
3-[2-[(3S)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione
CID 40803862
3-[2-[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one
CID 40918751
1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(1-methyltetrazol-5-yl)sulfanylethanone
CID 16525280
1-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone
CID 41217656
4-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 3153482
4-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate
CID 78468948
1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(4-hydroxyphenyl)sulfanylethanone
CID 167748812

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(5-thiophen-2-yltetrazol-2-yl)ethanone?
The IUPAC name of 1-[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(5-thiophen-2-yltetrazol-2-yl)ethanone (CID 9463616) is 1-[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(5-thiophen-2-yltetrazol-2-yl)ethanone.
What is the SMILES notation for 1-[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(5-thiophen-2-yltetrazol-2-yl)ethanone?
The canonical SMILES for 1-[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(5-thiophen-2-yltetrazol-2-yl)ethanone is O=C(Cn1nnc(-c2cccs2)n1)N1N=C(c2ccco2)C[C@@H]1c1ccco1.
What is the InChIKey of 1-[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(5-thiophen-2-yltetrazol-2-yl)ethanone?
The InChIKey is CJULLVJVIVPKLX-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H14N6O3S/c25-17(11-23-21-18(19-22-23)16-6-3-9-28-16)24-13(15-5-2-8-27-15)10-12(20-24)14-4-1-7-26-14/h1-9,13H,10-11H2/t13-/m1/s1.
What are the key properties of 1-[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(5-thiophen-2-yltetrazol-2-yl)ethanone?
1-[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(5-thiophen-2-yltetrazol-2-yl)ethanone has a molecular weight of 394.42 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(5-thiophen-2-yltetrazol-2-yl)ethanone is sourced from PubChem (CID 9463616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).