1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]propan-1-one

C14H14N2O2S — CID 3146328

IUPAC1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]propan-1-one
SMILESCCC(=O)N1N=C(c2cccs2)CC1c1ccco1
InChIInChI=1S/C14H14N2O2S/c1-2-14(17)16-11(12-5-3-7-18-12)9-10(15-16)13-6-4-8-19-13/h3-8,11H,2,9H2,1H3
InChIKeyDBQGODXWINBYFB-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.43
Rot. Bonds3

About 1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]propan-1-one

1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]propan-1-one (PubChem CID 3146328) has the molecular formula C14H14N2O2S and a molecular weight of 274.34 g/mol. Its IUPAC name is 1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]propan-1-one
PubChem CID3146328
Molecular FormulaC14H14N2O2S
Molecular Weight274.34 g/mol
Exact Mass274.08
IUPAC Name1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]propan-1-one
SMILESCCC(=O)N1N=C(c2cccs2)CC1c1ccco1
InChIInChI=1S/C14H14N2O2S/c1-2-14(17)16-11(12-5-3-7-18-12)9-10(15-16)13-6-4-8-19-13/h3-8,11H,2,9H2,1H3
InChIKeyDBQGODXWINBYFB-UHFFFAOYSA-N
XLogP3.43
TPSA45.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-1-[3-(furan-2-yl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
CID 4961662
2-Chloro-1-(5-furan-2-yl-3-thiophen-2-yl-4,5-dihydro-pyrazol-1-yl)-ethanone
CID 3162837
5-(furan-2-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothioamide
CID 3304967
3-(2-Furanyl)-2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole
CID 2953454
1-(2-furoyl)-5-(5-methyl-2-furyl)-3-(2-thienyl)-4,5-dihydro-1H-pyrazole
CID 2987949
5-(4-fluorophenyl)-1-(2-furoyl)-3-(2-thienyl)-4,5-dihydro-1H-pyrazole
CID 2952032
1-benzoyl-3-(2-furyl)-5-(2-thienyl)-4,5-dihydro-1H-pyrazole
CID 2952135
2-(diethylamino)-1-(5-(furan-2-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone
CID 11841123
1-{2-[5-(2-furyl)-3-(2-thienyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-4-methylpiperazine
CID 11841124
2-(2-Fluorophenoxy)-1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 16300130
2-[2-[3-(Furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]benzonitrile
CID 16323457
2-(2-Chlorophenoxy)-1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 16324602

Frequently Asked Questions

What is the IUPAC name of 1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]propan-1-one?
The IUPAC name of 1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]propan-1-one (CID 3146328) is 1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]propan-1-one.
What is the SMILES notation for 1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]propan-1-one?
The canonical SMILES for 1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]propan-1-one is CCC(=O)N1N=C(c2cccs2)CC1c1ccco1.
What is the InChIKey of 1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]propan-1-one?
The InChIKey is DBQGODXWINBYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-2-14(17)16-11(12-5-3-7-18-12)9-10(15-16)13-6-4-8-19-13/h3-8,11H,2,9H2,1H3.
What are the key properties of 1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]propan-1-one?
1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]propan-1-one has a molecular weight of 274.34 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]propan-1-one is sourced from PubChem (CID 3146328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).