methyl 5-methyl-2-(pyrazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylate

C14H12N4O3S — CID 19416932

IUPACmethyl 5-methyl-2-(pyrazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylate
SMILESCOC(=O)c1cc(C)sc1NC(=O)c1cc2ncccn2n1
InChIInChI=1S/C14H12N4O3S/c1-8-6-9(14(20)21-2)13(22-8)16-12(19)10-7-11-15-4-3-5-18(11)17-10/h3-7H,1-2H3,(H,16,19)
InChIKeyBJXCIITYIJKIRU-UHFFFAOYSA-N
MW316.34 g/mol
LogP2.14
Rot. Bonds3

About methyl 5-methyl-2-(pyrazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylate

methyl 5-methyl-2-(pyrazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylate (PubChem CID 19416932) has the molecular formula C14H12N4O3S and a molecular weight of 316.34 g/mol. Its IUPAC name is methyl 5-methyl-2-(pyrazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-2-(pyrazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylate
PubChem CID19416932
Molecular FormulaC14H12N4O3S
Molecular Weight316.34 g/mol
Exact Mass316.06
IUPAC Namemethyl 5-methyl-2-(pyrazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylate
SMILESCOC(=O)c1cc(C)sc1NC(=O)c1cc2ncccn2n1
InChIInChI=1S/C14H12N4O3S/c1-8-6-9(14(20)21-2)13(22-8)16-12(19)10-7-11-15-4-3-5-18(11)17-10/h3-7H,1-2H3,(H,16,19)
InChIKeyBJXCIITYIJKIRU-UHFFFAOYSA-N
XLogP2.14
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-{[(2,7-Dimethylpyrazolo[1,5-a]pyrimidin-6-yl)carbonyl]amino}-2-thiophenecarboxylic acid
CID 2768093
Methyl 3-{[(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)carbonyl]amino}-2-thiophenecarboxylate
CID 2768085
2-Ethyl 4-propan-2-yl 3-methyl-5-[([1,2,4]triazolo[1,5-a]pyrimidin-2-ylcarbonyl)amino]thiophene-2,4-dicarboxylate
CID 2056740
2-Ethyl 4-methyl 3-methyl-5-{[1,2,4]triazolo[1,5-A]pyrimidine-2-amido}thiophene-2,4-dicarboxylate
CID 3148779
Propyl 5-carbamoyl-2-(8-hydro-1,2,4-triazolo[1,5-a]pyrimidin-2-ylcarbonylamino)-4-methylthiophene-3-carboxylate
CID 3148782
2-Ethyl 4-propyl 3-methyl-5-[([1,2,4]triazolo[1,5-a]pyrimidin-2-ylcarbonyl)amino]thiophene-2,4-dicarboxylate
CID 3148778
Methyl 5-(diethylcarbamoyl)-4-methyl-2-{[1,2,4]triazolo[1,5-A]pyrimidine-2-amido}thiophene-3-carboxylate
CID 15991397
Ethyl 7-methyl-2-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 2736452
Ethyl 2-[[7-(difluoromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 995317
Isopropyl 4,5-dimethyl-2-({[5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-3-thiophenecarboxylate
CID 1023171
Methyl 2-({[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 1111157
Methyl 2-({[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 1297752

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-2-(pyrazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylate?
The IUPAC name of methyl 5-methyl-2-(pyrazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylate (CID 19416932) is methyl 5-methyl-2-(pyrazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylate.
What is the SMILES notation for methyl 5-methyl-2-(pyrazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylate?
The canonical SMILES for methyl 5-methyl-2-(pyrazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylate is COC(=O)c1cc(C)sc1NC(=O)c1cc2ncccn2n1.
What is the InChIKey of methyl 5-methyl-2-(pyrazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylate?
The InChIKey is BJXCIITYIJKIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3S/c1-8-6-9(14(20)21-2)13(22-8)16-12(19)10-7-11-15-4-3-5-18(11)17-10/h3-7H,1-2H3,(H,16,19).
What are the key properties of methyl 5-methyl-2-(pyrazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylate?
methyl 5-methyl-2-(pyrazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylate has a molecular weight of 316.34 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-2-(pyrazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylate is sourced from PubChem (CID 19416932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).