furan-2-yl-(5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)methanone

C18H14N2O2S — CID 91653669

IUPACfuran-2-yl-(5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)methanone
SMILESO=C(c1ccco1)N1N=C(c2ccccc2)CC1c1cccs1
InChIInChI=1S/C18H14N2O2S/c21-18(16-8-4-10-22-16)20-15(17-9-5-11-23-17)12-14(19-20)13-6-2-1-3-7-13/h1-11,15H,12H2
InChIKeyCFRGGMDQJBBMOM-UHFFFAOYSA-N
MW322.39 g/mol
LogP4.33
Rot. Bonds3

About furan-2-yl-(5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)methanone

furan-2-yl-(5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)methanone (PubChem CID 91653669) has the molecular formula C18H14N2O2S and a molecular weight of 322.39 g/mol. Its IUPAC name is furan-2-yl-(5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)methanone.

Molecular Properties

Compound Namefuran-2-yl-(5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)methanone
PubChem CID91653669
Molecular FormulaC18H14N2O2S
Molecular Weight322.39 g/mol
Exact Mass322.08
IUPAC Namefuran-2-yl-(5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)methanone
SMILESO=C(c1ccco1)N1N=C(c2ccccc2)CC1c1cccs1
InChIInChI=1S/C18H14N2O2S/c21-18(16-8-4-10-22-16)20-15(17-9-5-11-23-17)12-14(19-20)13-6-2-1-3-7-13/h1-11,15H,12H2
InChIKeyCFRGGMDQJBBMOM-UHFFFAOYSA-N
XLogP4.33
TPSA45.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
CID 100750142
N-[4-[2-(furan-2-carbonyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
CID 18553560
[(3R)-5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone
CID 951407
furan-2-yl-[(3R)-5-(4-hydroxy-3-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone
CID 136915182
[(3S)-5-(2,4-dimethylfuran-3-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
CID 7424590
furan-2-yl-[(3R)-3-(furan-2-yl)-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]methanone
CID 100663472
furan-2-yl-[(3R)-3-(2-hydroxyphenyl)-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]methanone
CID 97079923
furan-2-yl-[(3S)-3-(3-methylthiophen-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone
CID 1264807
[(3S)-5-(3-fluorophenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
CID 97310305
furan-2-yl-[3-(2-hydroxyphenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 86805889
4-[(3S)-5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobut-2-enoic acid
CID 936646
2-chloro-1-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 4961662

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-(5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)methanone?
The IUPAC name of furan-2-yl-(5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)methanone (CID 91653669) is furan-2-yl-(5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)methanone.
What is the SMILES notation for furan-2-yl-(5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)methanone?
The canonical SMILES for furan-2-yl-(5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)methanone is O=C(c1ccco1)N1N=C(c2ccccc2)CC1c1cccs1.
What is the InChIKey of furan-2-yl-(5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)methanone?
The InChIKey is CFRGGMDQJBBMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2S/c21-18(16-8-4-10-22-16)20-15(17-9-5-11-23-17)12-14(19-20)13-6-2-1-3-7-13/h1-11,15H,12H2.
What are the key properties of furan-2-yl-(5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)methanone?
furan-2-yl-(5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)methanone has a molecular weight of 322.39 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-(5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)methanone is sourced from PubChem (CID 91653669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).