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

C14H17N3O2S2 — CID 756307

IUPACN-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)thiophene-2-carboxamide
SMILESCC(C)(C)n1nc2c(c1NC(=O)c1cccs1)CS(=O)C2
InChIInChI=1S/C14H17N3O2S2/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)
InChIKeyWYHNDMBHGRSFMC-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.71
Rot. Bonds2

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

N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)thiophene-2-carboxamide (PubChem CID 756307) has the molecular formula C14H17N3O2S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)thiophene-2-carboxamide
PubChem CID756307
Molecular FormulaC14H17N3O2S2
Molecular Weight323.44 g/mol
Exact Mass323.08
IUPAC NameN-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)thiophene-2-carboxamide
SMILESCC(C)(C)n1nc2c(c1NC(=O)c1cccs1)CS(=O)C2
InChIInChI=1S/C14H17N3O2S2/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)
InChIKeyWYHNDMBHGRSFMC-UHFFFAOYSA-N
XLogP2.71
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5R)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,2-diphenylacetamide
CID 11877794
N-[(5S)-2-(3-chlorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide
CID 11863419
N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3,4-dimethoxybenzamide
CID 2160514
4-butoxy-N-[(5S)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 11863897
N-[(5R)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentanecarboxamide
CID 40768398
N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(trifluoromethyl)benzamide
CID 2160392
N-(1-tert-butylbenzimidazol-5-yl)thiophene-2-carboxamide
CID 828721
N-[2-(4-ethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide
CID 70905388
3-methyl-N-[(5R)-2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 11883629
N-(5-oxo-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide
CID 59050143
3,5-dimethoxy-N-[(5R)-5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 11883784
N-[(5R)-2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
CID 40768407

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)thiophene-2-carboxamide?
The IUPAC name of N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)thiophene-2-carboxamide (CID 756307) is N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)thiophene-2-carboxamide is CC(C)(C)n1nc2c(c1NC(=O)c1cccs1)CS(=O)C2.
What is the InChIKey of N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)thiophene-2-carboxamide?
The InChIKey is WYHNDMBHGRSFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S2/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)thiophene-2-carboxamide?
N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)thiophene-2-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 2.71, 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)thiophene-2-carboxamide is sourced from PubChem (CID 756307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).