2-(3-acetamido-4,6-dihydrothieno[3,4-c]pyrazol-2-yl)-N-propylacetamide

C12H18N4O2S — CID 30862069

IUPAC2-(3-acetamido-4,6-dihydrothieno[3,4-c]pyrazol-2-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1nc2c(c1NC(C)=O)CSC2
InChIInChI=1S/C12H18N4O2S/c1-3-4-13-11(18)5-16-12(14-8(2)17)9-6-19-7-10(9)15-16/h3-7H2,1-2H3,(H,13,18)(H,14,17)
InChIKeyMQYKYZJRPZTHFG-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.11
Rot. Bonds5

About 2-(3-acetamido-4,6-dihydrothieno[3,4-c]pyrazol-2-yl)-N-propylacetamide

2-(3-acetamido-4,6-dihydrothieno[3,4-c]pyrazol-2-yl)-N-propylacetamide (PubChem CID 30862069) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is 2-(3-acetamido-4,6-dihydrothieno[3,4-c]pyrazol-2-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(3-acetamido-4,6-dihydrothieno[3,4-c]pyrazol-2-yl)-N-propylacetamide
PubChem CID30862069
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name2-(3-acetamido-4,6-dihydrothieno[3,4-c]pyrazol-2-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1nc2c(c1NC(C)=O)CSC2
InChIInChI=1S/C12H18N4O2S/c1-3-4-13-11(18)5-16-12(14-8(2)17)9-6-19-7-10(9)15-16/h3-7H2,1-2H3,(H,13,18)(H,14,17)
InChIKeyMQYKYZJRPZTHFG-UHFFFAOYSA-N
XLogP1.11
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamido-4,6-dihydrothieno[3,4-c]pyrazol-2-yl)-N-propylacetamide?
The IUPAC name of 2-(3-acetamido-4,6-dihydrothieno[3,4-c]pyrazol-2-yl)-N-propylacetamide (CID 30862069) is 2-(3-acetamido-4,6-dihydrothieno[3,4-c]pyrazol-2-yl)-N-propylacetamide.
What is the SMILES notation for 2-(3-acetamido-4,6-dihydrothieno[3,4-c]pyrazol-2-yl)-N-propylacetamide?
The canonical SMILES for 2-(3-acetamido-4,6-dihydrothieno[3,4-c]pyrazol-2-yl)-N-propylacetamide is CCCNC(=O)Cn1nc2c(c1NC(C)=O)CSC2.
What is the InChIKey of 2-(3-acetamido-4,6-dihydrothieno[3,4-c]pyrazol-2-yl)-N-propylacetamide?
The InChIKey is MQYKYZJRPZTHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-3-4-13-11(18)5-16-12(14-8(2)17)9-6-19-7-10(9)15-16/h3-7H2,1-2H3,(H,13,18)(H,14,17).
What are the key properties of 2-(3-acetamido-4,6-dihydrothieno[3,4-c]pyrazol-2-yl)-N-propylacetamide?
2-(3-acetamido-4,6-dihydrothieno[3,4-c]pyrazol-2-yl)-N-propylacetamide has a molecular weight of 282.37 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamido-4,6-dihydrothieno[3,4-c]pyrazol-2-yl)-N-propylacetamide is sourced from PubChem (CID 30862069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).