[(3S)-5-(2,4-dimethylfuran-3-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone

C18H16N2O3S — CID 7424590

IUPAC[(3S)-5-(2,4-dimethylfuran-3-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
SMILESCc1coc(C)c1C1=NN(C(=O)c2ccco2)[C@H](c2cccs2)C1
InChIInChI=1S/C18H16N2O3S/c1-11-10-23-12(2)17(11)13-9-14(16-6-4-8-24-16)20(19-13)18(21)15-5-3-7-22-15/h3-8,10,14H,9H2,1-2H3/t14-/m0/s1
InChIKeyPHSDDPNMATURNA-AWEZNQCLSA-N
MW340.40 g/mol
LogP4.54
Rot. Bonds3

About [(3S)-5-(2,4-dimethylfuran-3-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone

[(3S)-5-(2,4-dimethylfuran-3-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone (PubChem CID 7424590) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is [(3S)-5-(2,4-dimethylfuran-3-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[(3S)-5-(2,4-dimethylfuran-3-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
PubChem CID7424590
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name[(3S)-5-(2,4-dimethylfuran-3-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
SMILESCc1coc(C)c1C1=NN(C(=O)c2ccco2)[C@H](c2cccs2)C1
InChIInChI=1S/C18H16N2O3S/c1-11-10-23-12(2)17(11)13-9-14(16-6-4-8-24-16)20(19-13)18(21)15-5-3-7-22-15/h3-8,10,14H,9H2,1-2H3/t14-/m0/s1
InChIKeyPHSDDPNMATURNA-AWEZNQCLSA-N
XLogP4.54
TPSA58.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3S)-5-(2,4-dimethylfuran-3-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone?
The IUPAC name of [(3S)-5-(2,4-dimethylfuran-3-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone (CID 7424590) is [(3S)-5-(2,4-dimethylfuran-3-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [(3S)-5-(2,4-dimethylfuran-3-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone?
The canonical SMILES for [(3S)-5-(2,4-dimethylfuran-3-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone is Cc1coc(C)c1C1=NN(C(=O)c2ccco2)[C@H](c2cccs2)C1.
What is the InChIKey of [(3S)-5-(2,4-dimethylfuran-3-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone?
The InChIKey is PHSDDPNMATURNA-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-11-10-23-12(2)17(11)13-9-14(16-6-4-8-24-16)20(19-13)18(21)15-5-3-7-22-15/h3-8,10,14H,9H2,1-2H3/t14-/m0/s1.
What are the key properties of [(3S)-5-(2,4-dimethylfuran-3-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone?
[(3S)-5-(2,4-dimethylfuran-3-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone has a molecular weight of 340.40 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-5-(2,4-dimethylfuran-3-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 7424590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).