methyl 3-[(5-methyl-2-pyridin-2-ylpyrazol-3-yl)amino]thiophene-2-carboxylate

C15H14N4O2S — CID 57449025

IUPACmethyl 3-[(5-methyl-2-pyridin-2-ylpyrazol-3-yl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1Nc1cc(C)nn1-c1ccccn1
InChIInChI=1S/C15H14N4O2S/c1-10-9-13(19(18-10)12-5-3-4-7-16-12)17-11-6-8-22-14(11)15(20)21-2/h3-9,17H,1-2H3
InChIKeySCJICYJPGZJCDU-UHFFFAOYSA-N
MW314.37 g/mol
LogP3.17
Rot. Bonds4

About methyl 3-[(5-methyl-2-pyridin-2-ylpyrazol-3-yl)amino]thiophene-2-carboxylate

methyl 3-[(5-methyl-2-pyridin-2-ylpyrazol-3-yl)amino]thiophene-2-carboxylate (PubChem CID 57449025) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is methyl 3-[(5-methyl-2-pyridin-2-ylpyrazol-3-yl)amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(5-methyl-2-pyridin-2-ylpyrazol-3-yl)amino]thiophene-2-carboxylate
PubChem CID57449025
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC Namemethyl 3-[(5-methyl-2-pyridin-2-ylpyrazol-3-yl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1Nc1cc(C)nn1-c1ccccn1
InChIInChI=1S/C15H14N4O2S/c1-10-9-13(19(18-10)12-5-3-4-7-16-12)17-11-6-8-22-14(11)15(20)21-2/h3-9,17H,1-2H3
InChIKeySCJICYJPGZJCDU-UHFFFAOYSA-N
XLogP3.17
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 53.17
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
Ethyl 7-methyl-2-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 2736452
Methyl 3-[3-methyl-1-phenyl-5-(1H-pyrrol-1-YL)-1H-pyrazole-4-amido]thiophene-2-carboxylate
CID 20892702
methyl 3-(6-(1H-1,2,4-triazol-1-yl)pyridazine-3-carboxamido)thiophene-2-carboxylate
CID 71805169
Methyl 2-[[5-(2-methylpropyl)-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrazol-3-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylate
CID 176669924
Methyl 2-[[5-(2-methylpropyl)-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-3-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylate
CID 176669929
Methyl 2-[[1-(3-cyclobutyl-5-fluorophenyl)-5-(2-methylpropyl)pyrazol-3-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylate
CID 176669932
Methyl 2-[[5-(2-methylpropyl)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-3-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylate
CID 176669938
Methyl 3-({[4-(pyridin-2-yl)piperazin-1-yl]carbonothioyl}amino)thiophene-2-carboxylate
CID 46506403
Methyl 3-[[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetyl]amino]thiophene-2-carboxylate
CID 25748042
methyl 3-({[1-(2-pyridinyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]carbonyl}amino)-2-thiophenecarboxylate
CID 91885837

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-methyl-2-pyridin-2-ylpyrazol-3-yl)amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(5-methyl-2-pyridin-2-ylpyrazol-3-yl)amino]thiophene-2-carboxylate (CID 57449025) is methyl 3-[(5-methyl-2-pyridin-2-ylpyrazol-3-yl)amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(5-methyl-2-pyridin-2-ylpyrazol-3-yl)amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(5-methyl-2-pyridin-2-ylpyrazol-3-yl)amino]thiophene-2-carboxylate is COC(=O)c1sccc1Nc1cc(C)nn1-c1ccccn1.
What is the InChIKey of methyl 3-[(5-methyl-2-pyridin-2-ylpyrazol-3-yl)amino]thiophene-2-carboxylate?
The InChIKey is SCJICYJPGZJCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S/c1-10-9-13(19(18-10)12-5-3-4-7-16-12)17-11-6-8-22-14(11)15(20)21-2/h3-9,17H,1-2H3.
What are the key properties of methyl 3-[(5-methyl-2-pyridin-2-ylpyrazol-3-yl)amino]thiophene-2-carboxylate?
methyl 3-[(5-methyl-2-pyridin-2-ylpyrazol-3-yl)amino]thiophene-2-carboxylate has a molecular weight of 314.37 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-methyl-2-pyridin-2-ylpyrazol-3-yl)amino]thiophene-2-carboxylate is sourced from PubChem (CID 57449025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).