[(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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

furan-2-yl-(5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)methanone
CID 91653669
[(3S)-5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
CID 100750142
furan-2-yl-[(3S)-3-(3-methylthiophen-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone
CID 1264807
furan-2-yl-[(3R)-5-(4-hydroxy-3-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone
CID 136915182
N-[4-[2-(furan-2-carbonyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
CID 18553560
furan-2-yl-[(3R)-3-(furan-2-yl)-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]methanone
CID 100663472
2-chloro-1-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 4961662
2-(2,6-dimethylanilino)-1-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 119032207
4-[(3S)-5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobut-2-enoic acid
CID 936646
furan-2-yl-[(3R)-5-(2-hydroxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 135556947
[2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 42984105
furan-2-yl-[(3R)-3-(2-hydroxyphenyl)-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]methanone
CID 97079923

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).