(2,5-dimethylfuran-3-yl)-(3-thiophen-2-ylpyrazol-1-yl)methanone

C14H12N2O2S — CID 2814860

IUPAC(2,5-dimethylfuran-3-yl)-(3-thiophen-2-ylpyrazol-1-yl)methanone
SMILESCc1cc(C(=O)n2ccc(-c3cccs3)n2)c(C)o1
InChIInChI=1S/C14H12N2O2S/c1-9-8-11(10(2)18-9)14(17)16-6-5-12(15-16)13-4-3-7-19-13/h3-8H,1-2H3
InChIKeyCTIKVCPCILYUIF-UHFFFAOYSA-N
MW272.33 g/mol
LogP3.51
Rot. Bonds2

About (2,5-dimethylfuran-3-yl)-(3-thiophen-2-ylpyrazol-1-yl)methanone

(2,5-dimethylfuran-3-yl)-(3-thiophen-2-ylpyrazol-1-yl)methanone (PubChem CID 2814860) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-(3-thiophen-2-ylpyrazol-1-yl)methanone.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-(3-thiophen-2-ylpyrazol-1-yl)methanone
PubChem CID2814860
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name(2,5-dimethylfuran-3-yl)-(3-thiophen-2-ylpyrazol-1-yl)methanone
SMILESCc1cc(C(=O)n2ccc(-c3cccs3)n2)c(C)o1
InChIInChI=1S/C14H12N2O2S/c1-9-8-11(10(2)18-9)14(17)16-6-5-12(15-16)13-4-3-7-19-13/h3-8H,1-2H3
InChIKeyCTIKVCPCILYUIF-UHFFFAOYSA-N
XLogP3.51
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methoxyphenyl)[3-(2-thienyl)-1H-pyrazol-1-yl]methanone
CID 2814854
(2,5-Dimethylfuran-3-yl)-(4-methyl-3-thiophen-2-ylpyrazol-1-yl)methanone
CID 2742934
(2-Phenoxy-3-pyridinyl)-(3-thiophen-2-ylpyrazol-1-yl)methanone
CID 2814858
[2-(4-Methylphenoxy)-3-pyridinyl]-(3-thiophen-2-ylpyrazol-1-yl)methanone
CID 2814859
2,5-dimethyl-N-(pyridin-2-ylmethyl)-N-(thiophen-3-ylmethyl)furan-3-carboxamide
CID 49715427
3-furyl[2-(2-thienyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl]methanone
CID 53165155
2,5-dimethyl-N-(pyridin-3-ylmethyl)-N-(2-(thiophen-2-yl)ethyl)furan-3-carboxamide
CID 71781279
2,5-dimethyl-N-((1-methyl-5-(thiophen-2-yl)-1H-pyrazol-3-yl)methyl)furan-3-carboxamide
CID 71797380
N-(2-(5-cyclopropyl-3-(thiophen-2-yl)-1H-pyrazol-1-yl)ethyl)-2,5-dimethylfuran-3-carboxamide
CID 72718615
N-(2-(5-methyl-3-(thiophen-2-yl)-1H-pyrazol-1-yl)ethyl)furan-3-carboxamide
CID 86266262
N-{2-[5-cyclopropyl-3-(thiophen-3-yl)-1H-pyrazol-1-yl]ethyl}furan-3-carboxamide
CID 86266311
2,5-dimethyl-N-(2-(3-(thiophen-3-yl)-1H-pyrazol-1-yl)ethyl)furan-3-carboxamide
CID 86266364

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-(3-thiophen-2-ylpyrazol-1-yl)methanone?
The IUPAC name of (2,5-dimethylfuran-3-yl)-(3-thiophen-2-ylpyrazol-1-yl)methanone (CID 2814860) is (2,5-dimethylfuran-3-yl)-(3-thiophen-2-ylpyrazol-1-yl)methanone.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-(3-thiophen-2-ylpyrazol-1-yl)methanone?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-(3-thiophen-2-ylpyrazol-1-yl)methanone is Cc1cc(C(=O)n2ccc(-c3cccs3)n2)c(C)o1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-(3-thiophen-2-ylpyrazol-1-yl)methanone?
The InChIKey is CTIKVCPCILYUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-9-8-11(10(2)18-9)14(17)16-6-5-12(15-16)13-4-3-7-19-13/h3-8H,1-2H3.
What are the key properties of (2,5-dimethylfuran-3-yl)-(3-thiophen-2-ylpyrazol-1-yl)methanone?
(2,5-dimethylfuran-3-yl)-(3-thiophen-2-ylpyrazol-1-yl)methanone has a molecular weight of 272.33 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-(3-thiophen-2-ylpyrazol-1-yl)methanone is sourced from PubChem (CID 2814860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).