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

C14H22N4O2S — CID 7685459

IUPACN'-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-N-propyloxamide
SMILESCCCNC(=O)C(=O)Nc1c2c(nn1C(C)(C)C)CSC2
InChIInChI=1S/C14H22N4O2S/c1-5-6-15-12(19)13(20)16-11-9-7-21-8-10(9)17-18(11)14(2,3)4/h5-8H2,1-4H3,(H,15,19)(H,16,20)
InChIKeyGFUAQSPECWVBMP-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.85
Rot. Bonds3

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

N'-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-N-propyloxamide (PubChem CID 7685459) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is N'-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-N-propyloxamide.

Molecular Properties

Compound NameN'-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-N-propyloxamide
PubChem CID7685459
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC NameN'-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-N-propyloxamide
SMILESCCCNC(=O)C(=O)Nc1c2c(nn1C(C)(C)C)CSC2
InChIInChI=1S/C14H22N4O2S/c1-5-6-15-12(19)13(20)16-11-9-7-21-8-10(9)17-18(11)14(2,3)4/h5-8H2,1-4H3,(H,15,19)(H,16,20)
InChIKeyGFUAQSPECWVBMP-UHFFFAOYSA-N
XLogP1.85
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-N-propyloxamide?
The IUPAC name of N'-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-N-propyloxamide (CID 7685459) is N'-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-N-propyloxamide.
What is the SMILES notation for N'-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-N-propyloxamide?
The canonical SMILES for N'-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-N-propyloxamide is CCCNC(=O)C(=O)Nc1c2c(nn1C(C)(C)C)CSC2.
What is the InChIKey of N'-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-N-propyloxamide?
The InChIKey is GFUAQSPECWVBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-5-6-15-12(19)13(20)16-11-9-7-21-8-10(9)17-18(11)14(2,3)4/h5-8H2,1-4H3,(H,15,19)(H,16,20).
What are the key properties of N'-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-N-propyloxamide?
N'-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-N-propyloxamide has a molecular weight of 310.42 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 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)-N-propyloxamide is sourced from PubChem (CID 7685459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).