methyl 4,5-dimethyl-2-[(2-methylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate

C13H15N3O3S — CID 573359

IUPACmethyl 4,5-dimethyl-2-[(2-methylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2ccnn2C)sc(C)c1C
InChIInChI=1S/C13H15N3O3S/c1-7-8(2)20-12(10(7)13(18)19-4)15-11(17)9-5-6-14-16(9)3/h5-6H,1-4H3,(H,15,17)
InChIKeyIYFARNKNJGYBOQ-UHFFFAOYSA-N
MW293.35 g/mol
LogP2.14
Rot. Bonds3

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

methyl 4,5-dimethyl-2-[(2-methylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate (PubChem CID 573359) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is methyl 4,5-dimethyl-2-[(2-methylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 4,5-dimethyl-2-[(2-methylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate
PubChem CID573359
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Namemethyl 4,5-dimethyl-2-[(2-methylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2ccnn2C)sc(C)c1C
InChIInChI=1S/C13H15N3O3S/c1-7-8(2)20-12(10(7)13(18)19-4)15-11(17)9-5-6-14-16(9)3/h5-6H,1-4H3,(H,15,17)
InChIKeyIYFARNKNJGYBOQ-UHFFFAOYSA-N
XLogP2.14
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-{[(1-methyl-1H-pyrazol-3-yl)carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 4668907
Methyl 3-{[(1-methyl-1H-pyrazol-5-YL)carbonyl]amino}-2-thiophenecarboxylate
CID 6467010
Methyl 3-[(1-ethylpyrazol-3-yl)carbonylamino]thiophene-2-carboxylate
CID 6468769
methyl 2-{[(1-ethyl-1H-pyrazol-4-yl)carbonyl]amino}-4,5-dimethyl-3-thiophenecarboxylate
CID 842132
ethyl 2-{[(4-bromo-1-ethyl-1H-pyrazol-5-yl)carbonyl]amino}-4,5-dimethyl-3-thiophenecarboxylate
CID 995662
2-ethyl 4-isopropyl 5-{[3-(1,5-dimethyl-1H-pyrazol-4-yl)acryloyl]amino}-3-methyl-2,4-thiophenedicarboxylate
CID 1001206
diethyl 5-{[3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)acryloyl]amino}-3-methyl-2,4-thiophenedicarboxylate
CID 1001549
Thiophene-3-carboxylic acid, 4,5-dimethyl-2-[(1-methyl-4-nitro-1H-pyrazole-3-carbonyl)amino]-, ethyl ester
CID 1085720
Ethyl 4,5-dimethyl-2-[[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]thiophene-3-carboxylate
CID 1111137
methyl 2-{[(4-bromo-1-ethyl-1H-pyrazol-5-yl)carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 1311001
ethyl 2-{[(1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 2056597
methyl 2-{[(4-chloro-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}-4,5-dimethyl-3-thiophenecarboxylate
CID 6466787

Frequently Asked Questions

What is the IUPAC name of methyl 4,5-dimethyl-2-[(2-methylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate?
The IUPAC name of methyl 4,5-dimethyl-2-[(2-methylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate (CID 573359) is methyl 4,5-dimethyl-2-[(2-methylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 4,5-dimethyl-2-[(2-methylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate?
The canonical SMILES for methyl 4,5-dimethyl-2-[(2-methylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate is COC(=O)c1c(NC(=O)c2ccnn2C)sc(C)c1C.
What is the InChIKey of methyl 4,5-dimethyl-2-[(2-methylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate?
The InChIKey is IYFARNKNJGYBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-7-8(2)20-12(10(7)13(18)19-4)15-11(17)9-5-6-14-16(9)3/h5-6H,1-4H3,(H,15,17).
What are the key properties of methyl 4,5-dimethyl-2-[(2-methylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate?
methyl 4,5-dimethyl-2-[(2-methylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate has a molecular weight of 293.35 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,5-dimethyl-2-[(2-methylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 573359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).