1-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-thiophen-2-ylpyrazole-5-carboxamide

C18H14N4O3S — CID 86207596

IUPAC1-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCN1C(=O)c2ccc(NC(=O)c3cc(-c4cccs4)nn3C)cc2C1=O
InChIInChI=1S/C18H14N4O3S/c1-21-17(24)11-6-5-10(8-12(11)18(21)25)19-16(23)14-9-13(20-22(14)2)15-4-3-7-26-15/h3-9H,1-2H3,(H,19,23)
InChIKeyFFSYFPVJEUKGSK-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.63
Rot. Bonds3

About 1-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-thiophen-2-ylpyrazole-5-carboxamide

1-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-thiophen-2-ylpyrazole-5-carboxamide (PubChem CID 86207596) has the molecular formula C18H14N4O3S and a molecular weight of 366.40 g/mol. Its IUPAC name is 1-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-thiophen-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-thiophen-2-ylpyrazole-5-carboxamide
PubChem CID86207596
Molecular FormulaC18H14N4O3S
Molecular Weight366.40 g/mol
Exact Mass366.08
IUPAC Name1-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCN1C(=O)c2ccc(NC(=O)c3cc(-c4cccs4)nn3C)cc2C1=O
InChIInChI=1S/C18H14N4O3S/c1-21-17(24)11-6-5-10(8-12(11)18(21)25)19-16(23)14-9-13(20-22(14)2)15-4-3-7-26-15/h3-9H,1-2H3,(H,19,23)
InChIKeyFFSYFPVJEUKGSK-UHFFFAOYSA-N
XLogP2.63
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-methyl-N-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 812762
1-methyl-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 71805067
1-methyl-N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 131928452
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 122303083
1-methyl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 122290696
3-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-oxophthalazine-1-carboxamide
CID 31508107
1-methyl-N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 122295961
N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 122288428
N-(2-methyl-1,3-dioxoisoindol-5-yl)-1H-pyrrole-2-carboxamide
CID 110461124
3-methyl-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]thiophene-2-carboxamide
CID 54596542
N-cyclohexyl-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42762130
N-(4-methoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7899964

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-thiophen-2-ylpyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-thiophen-2-ylpyrazole-5-carboxamide (CID 86207596) is 1-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-thiophen-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-thiophen-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-thiophen-2-ylpyrazole-5-carboxamide is CN1C(=O)c2ccc(NC(=O)c3cc(-c4cccs4)nn3C)cc2C1=O.
What is the InChIKey of 1-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-thiophen-2-ylpyrazole-5-carboxamide?
The InChIKey is FFSYFPVJEUKGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3S/c1-21-17(24)11-6-5-10(8-12(11)18(21)25)19-16(23)14-9-13(20-22(14)2)15-4-3-7-26-15/h3-9H,1-2H3,(H,19,23).
What are the key properties of 1-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-thiophen-2-ylpyrazole-5-carboxamide?
1-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-thiophen-2-ylpyrazole-5-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-thiophen-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 86207596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).