methyl 3-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]thiophene-2-carboxylate

C11H10ClN3O3S — CID 6465630

IUPACmethyl 3-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)c1c(Cl)cnn1C
InChIInChI=1S/C11H10ClN3O3S/c1-15-8(6(12)5-13-15)10(16)14-7-3-4-19-9(7)11(17)18-2/h3-5H,1-2H3,(H,14,16)
InChIKeyYZRHGELWBZQNEQ-UHFFFAOYSA-N
MW299.74 g/mol
LogP2.17
Rot. Bonds3

About methyl 3-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]thiophene-2-carboxylate

methyl 3-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]thiophene-2-carboxylate (PubChem CID 6465630) has the molecular formula C11H10ClN3O3S and a molecular weight of 299.74 g/mol. Its IUPAC name is methyl 3-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]thiophene-2-carboxylate
PubChem CID6465630
Molecular FormulaC11H10ClN3O3S
Molecular Weight299.74 g/mol
Exact Mass299.01
IUPAC Namemethyl 3-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)c1c(Cl)cnn1C
InChIInChI=1S/C11H10ClN3O3S/c1-15-8(6(12)5-13-15)10(16)14-7-3-4-19-9(7)11(17)18-2/h3-5H,1-2H3,(H,14,16)
InChIKeyYZRHGELWBZQNEQ-UHFFFAOYSA-N
XLogP2.17
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.74
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]thiophene-2-carboxylate 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 methyl 3-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]thiophene-2-carboxylate (CID 6465630) is methyl 3-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)c1c(Cl)cnn1C.
What is the InChIKey of methyl 3-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]thiophene-2-carboxylate?
The InChIKey is YZRHGELWBZQNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O3S/c1-15-8(6(12)5-13-15)10(16)14-7-3-4-19-9(7)11(17)18-2/h3-5H,1-2H3,(H,14,16).
What are the key properties of methyl 3-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]thiophene-2-carboxylate?
methyl 3-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]thiophene-2-carboxylate has a molecular weight of 299.74 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]thiophene-2-carboxylate is sourced from PubChem (CID 6465630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).