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

C16H25N3O2S — CID 756297

IUPACN-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)cyclohexanecarboxamide
SMILESCC(C)(C)n1nc2c(c1NC(=O)C1CCCCC1)CS(=O)C2
InChIInChI=1S/C16H25N3O2S/c1-16(2,3)19-14(12-9-22(21)10-13(12)18-19)17-15(20)11-7-5-4-6-8-11/h11H,4-10H2,1-3H3,(H,17,20)
InChIKeyZXZPOBTXFMAOAV-UHFFFAOYSA-N
MW323.46 g/mol
LogP2.92
Rot. Bonds2

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

N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)cyclohexanecarboxamide (PubChem CID 756297) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)cyclohexanecarboxamide
PubChem CID756297
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC NameN-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)cyclohexanecarboxamide
SMILESCC(C)(C)n1nc2c(c1NC(=O)C1CCCCC1)CS(=O)C2
InChIInChI=1S/C16H25N3O2S/c1-16(2,3)19-14(12-9-22(21)10-13(12)18-19)17-15(20)11-7-5-4-6-8-11/h11H,4-10H2,1-3H3,(H,17,20)
InChIKeyZXZPOBTXFMAOAV-UHFFFAOYSA-N
XLogP2.92
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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)cyclohexanecarboxamide?
The IUPAC name of N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)cyclohexanecarboxamide (CID 756297) is N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)cyclohexanecarboxamide is CC(C)(C)n1nc2c(c1NC(=O)C1CCCCC1)CS(=O)C2.
What is the InChIKey of N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)cyclohexanecarboxamide?
The InChIKey is ZXZPOBTXFMAOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-16(2,3)19-14(12-9-22(21)10-13(12)18-19)17-15(20)11-7-5-4-6-8-11/h11H,4-10H2,1-3H3,(H,17,20).
What are the key properties of N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)cyclohexanecarboxamide?
N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)cyclohexanecarboxamide has a molecular weight of 323.46 g/mol, XLogP of 2.92, 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-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)cyclohexanecarboxamide is sourced from PubChem (CID 756297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).