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

C13H14ClN3O3S — CID 6466787

IUPACmethyl 2-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2c(Cl)cnn2C)sc(C)c1C
InChIInChI=1S/C13H14ClN3O3S/c1-6-7(2)21-12(9(6)13(19)20-4)16-11(18)10-8(14)5-15-17(10)3/h5H,1-4H3,(H,16,18)
InChIKeyWNFBMUKVHHZBKG-UHFFFAOYSA-N
MW327.79 g/mol
LogP2.79
Rot. Bonds3

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

methyl 2-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate (PubChem CID 6466787) has the molecular formula C13H14ClN3O3S and a molecular weight of 327.79 g/mol. Its IUPAC name is methyl 2-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
PubChem CID6466787
Molecular FormulaC13H14ClN3O3S
Molecular Weight327.79 g/mol
Exact Mass327.04
IUPAC Namemethyl 2-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2c(Cl)cnn2C)sc(C)c1C
InChIInChI=1S/C13H14ClN3O3S/c1-6-7(2)21-12(9(6)13(19)20-4)16-11(18)10-8(14)5-15-17(10)3/h5H,1-4H3,(H,16,18)
InChIKeyWNFBMUKVHHZBKG-UHFFFAOYSA-N
XLogP2.79
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.79
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]-4,5-dimethylthiophene-3-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 2-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate?
The IUPAC name of methyl 2-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate (CID 6466787) is methyl 2-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate?
The canonical SMILES for methyl 2-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate is COC(=O)c1c(NC(=O)c2c(Cl)cnn2C)sc(C)c1C.
What is the InChIKey of methyl 2-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate?
The InChIKey is WNFBMUKVHHZBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O3S/c1-6-7(2)21-12(9(6)13(19)20-4)16-11(18)10-8(14)5-15-17(10)3/h5H,1-4H3,(H,16,18).
What are the key properties of methyl 2-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate?
methyl 2-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate has a molecular weight of 327.79 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate is sourced from PubChem (CID 6466787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).