N-(5-tert-butyl-1-ethylthieno[3,2-d]pyrazol-3-yl)furan-2-carboxamide

C16H19N3O2S — CID 141124723

IUPACN-(5-tert-butyl-1-ethylthieno[3,2-d]pyrazol-3-yl)furan-2-carboxamide
SMILESCCn1nc(NC(=O)c2ccco2)c2cc(C(C)(C)C)sc21
InChIInChI=1S/C16H19N3O2S/c1-5-19-15-10(9-12(22-15)16(2,3)4)13(18-19)17-14(20)11-7-6-8-21-11/h6-9H,5H2,1-4H3,(H,17,18,20)
InChIKeyJOXHXIJDIBQQDU-UHFFFAOYSA-N
MW317.41 g/mol
LogP4.26
Rot. Bonds3

About N-(5-tert-butyl-1-ethylthieno[3,2-d]pyrazol-3-yl)furan-2-carboxamide

N-(5-tert-butyl-1-ethylthieno[3,2-d]pyrazol-3-yl)furan-2-carboxamide (PubChem CID 141124723) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(5-tert-butyl-1-ethylthieno[3,2-d]pyrazol-3-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1-ethylthieno[3,2-d]pyrazol-3-yl)furan-2-carboxamide
PubChem CID141124723
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-(5-tert-butyl-1-ethylthieno[3,2-d]pyrazol-3-yl)furan-2-carboxamide
SMILESCCn1nc(NC(=O)c2ccco2)c2cc(C(C)(C)C)sc21
InChIInChI=1S/C16H19N3O2S/c1-5-19-15-10(9-12(22-15)16(2,3)4)13(18-19)17-14(20)11-7-6-8-21-11/h6-9H,5H2,1-4H3,(H,17,18,20)
InChIKeyJOXHXIJDIBQQDU-UHFFFAOYSA-N
XLogP4.26
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[8-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]furan-2-carboxamide
CID 944098
N-(4-ethyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 87065618
N-(3-tert-butyl-1-phenylpyrazol-5-yl)furan-2-carboxamide
CID 2473696
N-(3,5-ditert-butyl-4-hydroxyphenyl)furan-2-carboxamide
CID 56689935
N-(2,5-dimethyl-1,2,4-triazol-3-yl)furan-2-carboxamide
CID 86789673
N-[5-[(4-tert-butylphenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31301485
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-(furan-2-carbonylamino)-1-methylpyrazole-3-carboxamide
CID 51999124
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]furan-2-carboxamide
CID 19290411
N-[4-(1-amino-2-methylpropan-2-yl)phenyl]furan-2-carboxamide
CID 43624586
N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)furan-2-carboxamide
CID 17451363
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-(3-hydroxy-2-pyridinyl)furan-2-carboxamide
CID 41177559

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1-ethylthieno[3,2-d]pyrazol-3-yl)furan-2-carboxamide?
The IUPAC name of N-(5-tert-butyl-1-ethylthieno[3,2-d]pyrazol-3-yl)furan-2-carboxamide (CID 141124723) is N-(5-tert-butyl-1-ethylthieno[3,2-d]pyrazol-3-yl)furan-2-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-1-ethylthieno[3,2-d]pyrazol-3-yl)furan-2-carboxamide?
The canonical SMILES for N-(5-tert-butyl-1-ethylthieno[3,2-d]pyrazol-3-yl)furan-2-carboxamide is CCn1nc(NC(=O)c2ccco2)c2cc(C(C)(C)C)sc21.
What is the InChIKey of N-(5-tert-butyl-1-ethylthieno[3,2-d]pyrazol-3-yl)furan-2-carboxamide?
The InChIKey is JOXHXIJDIBQQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-5-19-15-10(9-12(22-15)16(2,3)4)13(18-19)17-14(20)11-7-6-8-21-11/h6-9H,5H2,1-4H3,(H,17,18,20).
What are the key properties of N-(5-tert-butyl-1-ethylthieno[3,2-d]pyrazol-3-yl)furan-2-carboxamide?
N-(5-tert-butyl-1-ethylthieno[3,2-d]pyrazol-3-yl)furan-2-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1-ethylthieno[3,2-d]pyrazol-3-yl)furan-2-carboxamide is sourced from PubChem (CID 141124723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).