[3-[(5-chlorothiophene-2-carbonyl)amino]-1-methylpyrazol-4-yl] ethyl carbonate

C12H12ClN3O4S — CID 69136896

IUPAC[3-[(5-chlorothiophene-2-carbonyl)amino]-1-methylpyrazol-4-yl] ethyl carbonate
SMILESCCOC(=O)Oc1cn(C)nc1NC(=O)c1ccc(Cl)s1
InChIInChI=1S/C12H12ClN3O4S/c1-3-19-12(18)20-7-6-16(2)15-10(7)14-11(17)8-4-5-9(13)21-8/h4-6H,3H2,1-2H3,(H,14,15,17)
InChIKeyMLKSJCHRKLUXCU-UHFFFAOYSA-N
MW329.77 g/mol
LogP2.92
Rot. Bonds4

About [3-[(5-chlorothiophene-2-carbonyl)amino]-1-methylpyrazol-4-yl] ethyl carbonate

[3-[(5-chlorothiophene-2-carbonyl)amino]-1-methylpyrazol-4-yl] ethyl carbonate (PubChem CID 69136896) has the molecular formula C12H12ClN3O4S and a molecular weight of 329.77 g/mol. Its IUPAC name is [3-[(5-chlorothiophene-2-carbonyl)amino]-1-methylpyrazol-4-yl] ethyl carbonate.

Molecular Properties

Compound Name[3-[(5-chlorothiophene-2-carbonyl)amino]-1-methylpyrazol-4-yl] ethyl carbonate
PubChem CID69136896
Molecular FormulaC12H12ClN3O4S
Molecular Weight329.77 g/mol
Exact Mass329.02
IUPAC Name[3-[(5-chlorothiophene-2-carbonyl)amino]-1-methylpyrazol-4-yl] ethyl carbonate
SMILESCCOC(=O)Oc1cn(C)nc1NC(=O)c1ccc(Cl)s1
InChIInChI=1S/C12H12ClN3O4S/c1-3-19-12(18)20-7-6-16(2)15-10(7)14-11(17)8-4-5-9(13)21-8/h4-6H,3H2,1-2H3,(H,14,15,17)
InChIKeyMLKSJCHRKLUXCU-UHFFFAOYSA-N
XLogP2.92
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.77
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [3-[(5-chlorothiophene-2-carbonyl)amino]-1-methylpyrazol-4-yl] ethyl carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-[(5-chlorothiophene-2-carbonyl)amino]-1-methylpyrazol-4-yl] ethyl carbonate?
The IUPAC name of [3-[(5-chlorothiophene-2-carbonyl)amino]-1-methylpyrazol-4-yl] ethyl carbonate (CID 69136896) is [3-[(5-chlorothiophene-2-carbonyl)amino]-1-methylpyrazol-4-yl] ethyl carbonate.
What is the SMILES notation for [3-[(5-chlorothiophene-2-carbonyl)amino]-1-methylpyrazol-4-yl] ethyl carbonate?
The canonical SMILES for [3-[(5-chlorothiophene-2-carbonyl)amino]-1-methylpyrazol-4-yl] ethyl carbonate is CCOC(=O)Oc1cn(C)nc1NC(=O)c1ccc(Cl)s1.
What is the InChIKey of [3-[(5-chlorothiophene-2-carbonyl)amino]-1-methylpyrazol-4-yl] ethyl carbonate?
The InChIKey is MLKSJCHRKLUXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O4S/c1-3-19-12(18)20-7-6-16(2)15-10(7)14-11(17)8-4-5-9(13)21-8/h4-6H,3H2,1-2H3,(H,14,15,17).
What are the key properties of [3-[(5-chlorothiophene-2-carbonyl)amino]-1-methylpyrazol-4-yl] ethyl carbonate?
[3-[(5-chlorothiophene-2-carbonyl)amino]-1-methylpyrazol-4-yl] ethyl carbonate has a molecular weight of 329.77 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(5-chlorothiophene-2-carbonyl)amino]-1-methylpyrazol-4-yl] ethyl carbonate is sourced from PubChem (CID 69136896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).