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

C13H14ClN3O3S — CID 19476964

IUPACmethyl 2-[(4-chloro-1,3-dimethylpyrazole-5-carbonyl)amino]-5-methylthiophene-3-carboxylate
SMILESCOC(=O)c1cc(C)sc1NC(=O)c1c(Cl)c(C)nn1C
InChIInChI=1S/C13H14ClN3O3S/c1-6-5-8(13(19)20-4)12(21-6)15-11(18)10-9(14)7(2)16-17(10)3/h5H,1-4H3,(H,15,18)
InChIKeyZCGAGPALEJRIJH-UHFFFAOYSA-N
MW327.79 g/mol
LogP2.79
Rot. Bonds3

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

methyl 2-[(4-chloro-1,3-dimethylpyrazole-5-carbonyl)amino]-5-methylthiophene-3-carboxylate (PubChem CID 19476964) has the molecular formula C13H14ClN3O3S and a molecular weight of 327.79 g/mol. Its IUPAC name is methyl 2-[(4-chloro-1,3-dimethylpyrazole-5-carbonyl)amino]-5-methylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(4-chloro-1,3-dimethylpyrazole-5-carbonyl)amino]-5-methylthiophene-3-carboxylate
PubChem CID19476964
Molecular FormulaC13H14ClN3O3S
Molecular Weight327.79 g/mol
Exact Mass327.04
IUPAC Namemethyl 2-[(4-chloro-1,3-dimethylpyrazole-5-carbonyl)amino]-5-methylthiophene-3-carboxylate
SMILESCOC(=O)c1cc(C)sc1NC(=O)c1c(Cl)c(C)nn1C
InChIInChI=1S/C13H14ClN3O3S/c1-6-5-8(13(19)20-4)12(21-6)15-11(18)10-9(14)7(2)16-17(10)3/h5H,1-4H3,(H,15,18)
InChIKeyZCGAGPALEJRIJH-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-1,3-dimethylpyrazole-5-carbonyl)amino]-5-methylthiophene-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

Related Compounds

methyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-5-methylthiophene-3-carboxylate
CID 19279648
methyl 3-chloro-6-[(4-chloro-1,3-dimethylpyrazole-5-carbonyl)amino]-1-benzothiophene-2-carboxylate
CID 19477078
4-[(3-methoxycarbonyl-5-methylthiophen-2-yl)carbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 19498591
methyl 2-[[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carbonyl]amino]-5-methylthiophene-3-carboxylate
CID 19442251
methyl 2-[(3,5-dimethyl-1-phenylpyrazole-4-carbonyl)amino]-5-methylthiophene-3-carboxylate
CID 19477585
methyl 5-methyl-2-(1,3-thiazole-4-carbonylamino)thiophene-3-carboxylate
CID 84560174
2-[3-[(3-methoxycarbonyl-5-methylthiophen-2-yl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504152
methyl 2-[(4,5-dimethylthiophene-2-carbonyl)amino]-5-methylthiophene-3-carboxylate
CID 17024350
4-chloro-N-(2,5-dimethoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 4278668
4-chloro-N-(5-chloro-2-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 5048499
methyl 2-[2-(4-chloropyrazol-1-yl)propanoylamino]-5-methylthiophene-3-carboxylate
CID 19538491
ethyl 5-[(4-chloro-1,3-dimethylpyrazole-5-carbonyl)amino]-1-methylpyrazole-4-carboxylate
CID 19477093

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-chloro-1,3-dimethylpyrazole-5-carbonyl)amino]-5-methylthiophene-3-carboxylate?
The IUPAC name of methyl 2-[(4-chloro-1,3-dimethylpyrazole-5-carbonyl)amino]-5-methylthiophene-3-carboxylate (CID 19476964) is methyl 2-[(4-chloro-1,3-dimethylpyrazole-5-carbonyl)amino]-5-methylthiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[(4-chloro-1,3-dimethylpyrazole-5-carbonyl)amino]-5-methylthiophene-3-carboxylate?
The canonical SMILES for methyl 2-[(4-chloro-1,3-dimethylpyrazole-5-carbonyl)amino]-5-methylthiophene-3-carboxylate is COC(=O)c1cc(C)sc1NC(=O)c1c(Cl)c(C)nn1C.
What is the InChIKey of methyl 2-[(4-chloro-1,3-dimethylpyrazole-5-carbonyl)amino]-5-methylthiophene-3-carboxylate?
The InChIKey is ZCGAGPALEJRIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O3S/c1-6-5-8(13(19)20-4)12(21-6)15-11(18)10-9(14)7(2)16-17(10)3/h5H,1-4H3,(H,15,18).
What are the key properties of methyl 2-[(4-chloro-1,3-dimethylpyrazole-5-carbonyl)amino]-5-methylthiophene-3-carboxylate?
methyl 2-[(4-chloro-1,3-dimethylpyrazole-5-carbonyl)amino]-5-methylthiophene-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-1,3-dimethylpyrazole-5-carbonyl)amino]-5-methylthiophene-3-carboxylate is sourced from PubChem (CID 19476964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).