1-[(3R)-5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[[5-(1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone

C19H15N5O3S2 — CID 135903972

IUPAC1-[(3R)-5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[[5-(1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
SMILESO=C(CSc1nnc(-c2ccc[nH]2)o1)N1N=C(c2ccco2)C[C@@H]1c1cccs1
InChIInChI=1S/C19H15N5O3S2/c25-17(11-29-19-22-21-18(27-19)12-4-1-7-20-12)24-14(16-6-3-9-28-16)10-13(23-24)15-5-2-8-26-15/h1-9,14,20H,10-11H2/t14-/m1/s1
InChIKeyNIWRYEKGXSMNHU-CQSZACIVSA-N
MW425.50 g/mol
LogP4.19
Rot. Bonds6

About 1-[(3R)-5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[[5-(1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone

1-[(3R)-5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[[5-(1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone (PubChem CID 135903972) has the molecular formula C19H15N5O3S2 and a molecular weight of 425.50 g/mol. Its IUPAC name is 1-[(3R)-5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[[5-(1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone.

Molecular Properties

Compound Name1-[(3R)-5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[[5-(1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
PubChem CID135903972
Molecular FormulaC19H15N5O3S2
Molecular Weight425.50 g/mol
Exact Mass425.06
IUPAC Name1-[(3R)-5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[[5-(1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
SMILESO=C(CSc1nnc(-c2ccc[nH]2)o1)N1N=C(c2ccco2)C[C@@H]1c1cccs1
InChIInChI=1S/C19H15N5O3S2/c25-17(11-29-19-22-21-18(27-19)12-4-1-7-20-12)24-14(16-6-3-9-28-16)10-13(23-24)15-5-2-8-26-15/h1-9,14,20H,10-11H2/t14-/m1/s1
InChIKeyNIWRYEKGXSMNHU-CQSZACIVSA-N
XLogP4.19
TPSA100.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[(3R)-5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[[5-(1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone with MolForge

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Related Compounds

2-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-5-(1H-pyrrol-2-yl)-1,3,4-oxadiazole
CID 135930562
4-[[5-(1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-thiophen-2-ylbutan-1-one
CID 135570310
2-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-5-thiophen-2-yl-3H-1,2-oxazole
CID 140977813
5-(furan-2-yl)-2-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1,3-oxazole
CID 140986058
2-[5-(furan-2-yl)-3-pyridin-2-yl-4-thiophen-2-yl-1H-pyrrol-2-yl]-1,3-oxazole
CID 141031455
2-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-yl-3H-1,2-oxazole
CID 141039475
5-(furan-2-ylmethyl)-3-(1,3-oxazol-2-ylmethyl)-2-(1H-pyrazol-5-ylmethyl)-4-(thiophen-2-ylmethyl)-3H-1,2-oxazole
CID 141060256
2-[1-(furan-2-yl)-5-(2H-pyran-2-yl)-3-(1H-pyrrol-2-yl)-2,3,4-trithiophen-2-ylpyrazolidin-4-yl]pyridine
CID 141162022
4-(furan-2-yl)-5-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,3-thiazole
CID 141178004
4-(furan-2-yl)-2-pyridin-2-yl-2-(1H-pyrrol-2-yl)-5-thiophen-2-yl-3H-1,3-oxazole
CID 141178246
2-[1-(furan-2-yl)-4-(1H-pyrrol-2-yl)-5-(2H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazol-2-yl]-1,3-oxazole
CID 141189605
5-(furan-2-yl)-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,3-oxazole
CID 141189938

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[[5-(1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
The IUPAC name of 1-[(3R)-5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[[5-(1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone (CID 135903972) is 1-[(3R)-5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[[5-(1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone.
What is the SMILES notation for 1-[(3R)-5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[[5-(1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
The canonical SMILES for 1-[(3R)-5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[[5-(1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone is O=C(CSc1nnc(-c2ccc[nH]2)o1)N1N=C(c2ccco2)C[C@@H]1c1cccs1.
What is the InChIKey of 1-[(3R)-5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[[5-(1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
The InChIKey is NIWRYEKGXSMNHU-CQSZACIVSA-N. The full InChI is InChI=1S/C19H15N5O3S2/c25-17(11-29-19-22-21-18(27-19)12-4-1-7-20-12)24-14(16-6-3-9-28-16)10-13(23-24)15-5-2-8-26-15/h1-9,14,20H,10-11H2/t14-/m1/s1.
What are the key properties of 1-[(3R)-5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[[5-(1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
1-[(3R)-5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[[5-(1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone has a molecular weight of 425.50 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[[5-(1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone is sourced from PubChem (CID 135903972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).