N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)cyclopropanecarboxamide

C13H19N3OS — CID 4131919

IUPACN-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)cyclopropanecarboxamide
SMILESCC(C)(C)n1nc2c(c1NC(=O)C1CC1)CSC2
InChIInChI=1S/C13H19N3OS/c1-13(2,3)16-11(14-12(17)8-4-5-8)9-6-18-7-10(9)15-16/h8H,4-7H2,1-3H3,(H,14,17)
InChIKeyYMQBVVXFAIVLJQ-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.73
Rot. Bonds2

About N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)cyclopropanecarboxamide

N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)cyclopropanecarboxamide (PubChem CID 4131919) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)cyclopropanecarboxamide
PubChem CID4131919
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC NameN-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)cyclopropanecarboxamide
SMILESCC(C)(C)n1nc2c(c1NC(=O)C1CC1)CSC2
InChIInChI=1S/C13H19N3OS/c1-13(2,3)16-11(14-12(17)8-4-5-8)9-6-18-7-10(9)15-16/h8H,4-7H2,1-3H3,(H,14,17)
InChIKeyYMQBVVXFAIVLJQ-UHFFFAOYSA-N
XLogP2.73
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-(tert-butyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-2-cyclohexylacetamide
CID 756232
N-(2-(tert-butyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)propionamide
CID 3565915
N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-methylbutanamide
CID 5096501
N-(2-(tert-butyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)cyclopentanecarboxamide
CID 756233
N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-cyclopentylpropanamide
CID 756238
N-(2-(tert-butyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)propionamide
CID 756253
N-(2-(tert-butyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)isobutyramide
CID 756259
N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2,2-dimethylpropanamide
CID 756269
N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-ethylbutanamide
CID 756283
N-(2-(tert-butyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)cyclopropanecarboxamide
CID 756288
N-(2-(tert-butyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)cyclohexanecarboxamide
CID 756297
N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-chloropropanamide
CID 3354038

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)cyclopropanecarboxamide?
The IUPAC name of N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)cyclopropanecarboxamide (CID 4131919) is N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)cyclopropanecarboxamide is CC(C)(C)n1nc2c(c1NC(=O)C1CC1)CSC2.
What is the InChIKey of N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)cyclopropanecarboxamide?
The InChIKey is YMQBVVXFAIVLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-13(2,3)16-11(14-12(17)8-4-5-8)9-6-18-7-10(9)15-16/h8H,4-7H2,1-3H3,(H,14,17).
What are the key properties of N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)cyclopropanecarboxamide?
N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)cyclopropanecarboxamide has a molecular weight of 265.38 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)cyclopropanecarboxamide is sourced from PubChem (CID 4131919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).