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

C13H12N2O2S — CID 2952861

IUPAC1-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
SMILESCC(=O)N1N=C(c2ccco2)CC1c1cccs1
InChIInChI=1S/C13H12N2O2S/c1-9(16)15-11(13-5-3-7-18-13)8-10(14-15)12-4-2-6-17-12/h2-7,11H,8H2,1H3
InChIKeyZYGYUTDWDSWBHQ-UHFFFAOYSA-N
MW260.32 g/mol
LogP3.04
Rot. Bonds2

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

1-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone (PubChem CID 2952861) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is 1-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
PubChem CID2952861
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC Name1-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
SMILESCC(=O)N1N=C(c2ccco2)CC1c1cccs1
InChIInChI=1S/C13H12N2O2S/c1-9(16)15-11(13-5-3-7-18-13)8-10(14-15)12-4-2-6-17-12/h2-7,11H,8H2,1H3
InChIKeyZYGYUTDWDSWBHQ-UHFFFAOYSA-N
XLogP3.04
TPSA45.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 53.04
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
1-(2-furoyl)-5-(5-methyl-2-furyl)-3-(2-thienyl)-4,5-dihydro-1H-pyrazole
CID 2987949
1-benzoyl-3-(2-furyl)-5-(2-thienyl)-4,5-dihydro-1H-pyrazole
CID 2952135
(Z)-N'-(1-(furan-2-yl)ethylidene)thiophene-2-carbohydrazide
CID 6338631
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
Thiophene-2-carboxylic acid [1-furan-2-yl-eth-(Z)-ylidene-hydrazinocarbonylmethyl]-amide
CID 6382135
1-(5-(5-methylfuran-2-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone
CID 2987751
1-[3-(Furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]propan-1-one
CID 3146328
1-[3-(Furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 2951972

Frequently Asked Questions

What is the IUPAC name of 1-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone?
The IUPAC name of 1-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone (CID 2952861) is 1-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone.
What is the SMILES notation for 1-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone?
The canonical SMILES for 1-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone is CC(=O)N1N=C(c2ccco2)CC1c1cccs1.
What is the InChIKey of 1-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone?
The InChIKey is ZYGYUTDWDSWBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S/c1-9(16)15-11(13-5-3-7-18-13)8-10(14-15)12-4-2-6-17-12/h2-7,11H,8H2,1H3.
What are the key properties of 1-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone?
1-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone has a molecular weight of 260.32 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone is sourced from PubChem (CID 2952861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).