N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide

C14H17N3O3S — CID 3235964

IUPACN-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide
SMILESCC(C)(C)n1nc2c(c1NC(=O)c1ccco1)CS(=O)C2
InChIInChI=1S/C14H17N3O3S/c1-14(2,3)17-12(9-7-21(19)8-10(9)16-17)15-13(18)11-5-4-6-20-11/h4-6H,7-8H2,1-3H3,(H,15,18)
InChIKeyYGLQZCHTMSYSSC-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.25
Rot. Bonds2

About N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide

N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide (PubChem CID 3235964) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide
PubChem CID3235964
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC NameN-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide
SMILESCC(C)(C)n1nc2c(c1NC(=O)c1ccco1)CS(=O)C2
InChIInChI=1S/C14H17N3O3S/c1-14(2,3)17-12(9-7-21(19)8-10(9)16-17)15-13(18)11-5-4-6-20-11/h4-6H,7-8H2,1-3H3,(H,15,18)
InChIKeyYGLQZCHTMSYSSC-UHFFFAOYSA-N
XLogP2.25
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide?
The IUPAC name of N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide (CID 3235964) is N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide.
What is the SMILES notation for N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide?
The canonical SMILES for N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide is CC(C)(C)n1nc2c(c1NC(=O)c1ccco1)CS(=O)C2.
What is the InChIKey of N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide?
The InChIKey is YGLQZCHTMSYSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-14(2,3)17-12(9-7-21(19)8-10(9)16-17)15-13(18)11-5-4-6-20-11/h4-6H,7-8H2,1-3H3,(H,15,18).
What are the key properties of N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide?
N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide has a molecular weight of 307.38 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide is sourced from PubChem (CID 3235964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).