1-ethyl-N-(furan-2-ylmethyl)-5-thiophen-3-ylpyrazole-3-carboxamide

C15H15N3O2S — CID 42878937

IUPAC1-ethyl-N-(furan-2-ylmethyl)-5-thiophen-3-ylpyrazole-3-carboxamide
SMILESCCn1nc(C(=O)NCc2ccco2)cc1-c1ccsc1
InChIInChI=1S/C15H15N3O2S/c1-2-18-14(11-5-7-21-10-11)8-13(17-18)15(19)16-9-12-4-3-6-20-12/h3-8,10H,2,9H2,1H3,(H,16,19)
InChIKeyVGWFOSVDTOHSHU-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.15
Rot. Bonds5

About 1-ethyl-N-(furan-2-ylmethyl)-5-thiophen-3-ylpyrazole-3-carboxamide

1-ethyl-N-(furan-2-ylmethyl)-5-thiophen-3-ylpyrazole-3-carboxamide (PubChem CID 42878937) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 1-ethyl-N-(furan-2-ylmethyl)-5-thiophen-3-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(furan-2-ylmethyl)-5-thiophen-3-ylpyrazole-3-carboxamide
PubChem CID42878937
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name1-ethyl-N-(furan-2-ylmethyl)-5-thiophen-3-ylpyrazole-3-carboxamide
SMILESCCn1nc(C(=O)NCc2ccco2)cc1-c1ccsc1
InChIInChI=1S/C15H15N3O2S/c1-2-18-14(11-5-7-21-10-11)8-13(17-18)15(19)16-9-12-4-3-6-20-12/h3-8,10H,2,9H2,1H3,(H,16,19)
InChIKeyVGWFOSVDTOHSHU-UHFFFAOYSA-N
XLogP3.15
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-benzyl-N-(furan-2-ylmethyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46077083
5-benzyl-N-(furan-2-ylmethyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50798044
N-(furan-2-ylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 973870
N-(furan-2-ylmethyl)-5-propyl-1,2-oxazole-3-carboxamide
CID 5307986
6-(dipropylamino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346353
N-(furan-2-ylmethyl)-3-[[[N'-methyl-N-(thiophen-3-ylmethyl)carbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111940398
1-(4-chlorophenyl)-5-(furan-2-yl)-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
CID 24631709
N-(furan-2-ylmethyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyridine-2-carboxamide
CID 143763267
(6R)-6-N-[(4-fluorophenyl)methyl]-2-N-(furan-2-ylmethyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743928
4-(azepan-1-yl)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109209338
N-(furan-2-ylmethyl)-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 46079602
1-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-5-(4-methylphenyl)pyrazole-3-carboxamide
CID 51662403

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(furan-2-ylmethyl)-5-thiophen-3-ylpyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-N-(furan-2-ylmethyl)-5-thiophen-3-ylpyrazole-3-carboxamide (CID 42878937) is 1-ethyl-N-(furan-2-ylmethyl)-5-thiophen-3-ylpyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-(furan-2-ylmethyl)-5-thiophen-3-ylpyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-N-(furan-2-ylmethyl)-5-thiophen-3-ylpyrazole-3-carboxamide is CCn1nc(C(=O)NCc2ccco2)cc1-c1ccsc1.
What is the InChIKey of 1-ethyl-N-(furan-2-ylmethyl)-5-thiophen-3-ylpyrazole-3-carboxamide?
The InChIKey is VGWFOSVDTOHSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-2-18-14(11-5-7-21-10-11)8-13(17-18)15(19)16-9-12-4-3-6-20-12/h3-8,10H,2,9H2,1H3,(H,16,19).
What are the key properties of 1-ethyl-N-(furan-2-ylmethyl)-5-thiophen-3-ylpyrazole-3-carboxamide?
1-ethyl-N-(furan-2-ylmethyl)-5-thiophen-3-ylpyrazole-3-carboxamide has a molecular weight of 301.37 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(furan-2-ylmethyl)-5-thiophen-3-ylpyrazole-3-carboxamide is sourced from PubChem (CID 42878937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).