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

C19H21N3O2S — CID 72718615

IUPACN-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCCn2nc(-c3cccs3)cc2C2CC2)c(C)o1
InChIInChI=1S/C19H21N3O2S/c1-12-10-15(13(2)24-12)19(23)20-7-8-22-17(14-5-6-14)11-16(21-22)18-4-3-9-25-18/h3-4,9-11,14H,5-8H2,1-2H3,(H,20,23)
InChIKeySKFVWHUWJBBUDD-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.13
Rot. Bonds6

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

N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 72718615) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID72718615
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC NameN-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCCn2nc(-c3cccs3)cc2C2CC2)c(C)o1
InChIInChI=1S/C19H21N3O2S/c1-12-10-15(13(2)24-12)19(23)20-7-8-22-17(14-5-6-14)11-16(21-22)18-4-3-9-25-18/h3-4,9-11,14H,5-8H2,1-2H3,(H,20,23)
InChIKeySKFVWHUWJBBUDD-UHFFFAOYSA-N
XLogP4.13
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(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-(2-(3-(furan-2-yl)-6-oxopyridazin-1(6H)-yl)ethyl)-1-methyl-3-(thiophen-2-yl)-1H-pyrazole-5-carboxamide
CID 49677364
N-[1-(2-hydroxyethyl)-3-(thiophen-2-yl)-1H-pyrazol-5-yl]-2,5-dimethylfuran-3-carboxamide
CID 49677513
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-((5-cyclopropyl-1-methyl-1H-pyrazol-3-yl)methyl)-2,5-dimethylfuran-3-carboxamide
CID 71808548
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)-5-methylisoxazole-3-carboxamide
CID 86266302
N-(2-(5-cyclopropyl-3-(thiophen-3-yl)-1H-pyrazol-1-yl)ethyl)-2-(3,5-dimethylisoxazol-4-yl)acetamide
CID 86266309
N-(2-(5-cyclopropyl-3-(thiophen-3-yl)-1H-pyrazol-1-yl)ethyl)-3-(2-methoxyphenyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 86266310
N-{2-[5-cyclopropyl-3-(thiophen-3-yl)-1H-pyrazol-1-yl]ethyl}furan-3-carboxamide
CID 86266311

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2,5-dimethylfuran-3-carboxamide (CID 72718615) is N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NCCn2nc(-c3cccs3)cc2C2CC2)c(C)o1.
What is the InChIKey of N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is SKFVWHUWJBBUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-12-10-15(13(2)24-12)19(23)20-7-8-22-17(14-5-6-14)11-16(21-22)18-4-3-9-25-18/h3-4,9-11,14H,5-8H2,1-2H3,(H,20,23).
What are the key properties of N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2,5-dimethylfuran-3-carboxamide?
N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 72718615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).