2,5-dimethyl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]furan-3-carboxamide

C16H17N3O2S — CID 86266364

IUPAC2,5-dimethyl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]furan-3-carboxamide
SMILESCc1cc(C(=O)NCCn2ccc(-c3ccsc3)n2)c(C)o1
InChIInChI=1S/C16H17N3O2S/c1-11-9-14(12(2)21-11)16(20)17-5-7-19-6-3-15(18-19)13-4-8-22-10-13/h3-4,6,8-10H,5,7H2,1-2H3,(H,17,20)
InChIKeyUAYVSHRXHCJXQG-UHFFFAOYSA-N
MW315.40 g/mol
LogP3.25
Rot. Bonds5

About 2,5-dimethyl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]furan-3-carboxamide

2,5-dimethyl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]furan-3-carboxamide (PubChem CID 86266364) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]furan-3-carboxamide
PubChem CID86266364
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name2,5-dimethyl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]furan-3-carboxamide
SMILESCc1cc(C(=O)NCCn2ccc(-c3ccsc3)n2)c(C)o1
InChIInChI=1S/C16H17N3O2S/c1-11-9-14(12(2)21-11)16(20)17-5-7-19-6-3-15(18-19)13-4-8-22-10-13/h3-4,6,8-10H,5,7H2,1-2H3,(H,17,20)
InChIKeyUAYVSHRXHCJXQG-UHFFFAOYSA-N
XLogP3.25
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethyl-N-{2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}furan-3-carboxamide
CID 71808005
N-(2-(3-(thiophen-3-yl)-1H-pyrazol-1-yl)ethyl)-3-(trifluoromethoxy)benzamide
CID 86266393
(2,5-Dimethylfuran-3-yl)-(4-methyl-3-thiophen-2-ylpyrazol-1-yl)methanone
CID 2742934
(2,5-Dimethylfuran-3-yl)-(3-thiophen-2-ylpyrazol-1-yl)methanone
CID 2814860
N-[1-(2-hydroxyethyl)-3-(thiophen-2-yl)-1H-pyrazol-5-yl]-2,5-dimethylfuran-3-carboxamide
CID 49677513
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-((1-methyl-5-(thiophen-2-yl)-1H-pyrazol-3-yl)methyl)furan-3-carboxamide
CID 71797380
N-{[1-cyclopentyl-5-(pyridin-4-yl)-1H-pyrazol-3-yl]methyl}-2,5-dimethylfuran-3-carboxamide
CID 71797556
2,5-dimethyl-N-{2-[3-(pyridin-2-yl)-1H-pyrazol-1-yl]ethyl}furan-3-carboxamide
CID 71807903
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

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]furan-3-carboxamide (CID 86266364) is 2,5-dimethyl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]furan-3-carboxamide is Cc1cc(C(=O)NCCn2ccc(-c3ccsc3)n2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]furan-3-carboxamide?
The InChIKey is UAYVSHRXHCJXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-11-9-14(12(2)21-11)16(20)17-5-7-19-6-3-15(18-19)13-4-8-22-10-13/h3-4,6,8-10H,5,7H2,1-2H3,(H,17,20).
What are the key properties of 2,5-dimethyl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]furan-3-carboxamide?
2,5-dimethyl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]furan-3-carboxamide has a molecular weight of 315.40 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]furan-3-carboxamide is sourced from PubChem (CID 86266364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).