2-methyl-N-(1-methyl-3-oxopyrazolidin-4-yl)thiophene-3-carboxamide

C10H13N3O2S — CID 128562638

IUPAC2-methyl-N-(1-methyl-3-oxopyrazolidin-4-yl)thiophene-3-carboxamide
SMILESCc1sccc1C(=O)NC1CN(C)NC1=O
InChIInChI=1S/C10H13N3O2S/c1-6-7(3-4-16-6)9(14)11-8-5-13(2)12-10(8)15/h3-4,8H,5H2,1-2H3,(H,11,14)(H,12,15)
InChIKeyALLAIEKSDGSJCP-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.13
Rot. Bonds2

About 2-methyl-N-(1-methyl-3-oxopyrazolidin-4-yl)thiophene-3-carboxamide

2-methyl-N-(1-methyl-3-oxopyrazolidin-4-yl)thiophene-3-carboxamide (PubChem CID 128562638) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 2-methyl-N-(1-methyl-3-oxopyrazolidin-4-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(1-methyl-3-oxopyrazolidin-4-yl)thiophene-3-carboxamide
PubChem CID128562638
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name2-methyl-N-(1-methyl-3-oxopyrazolidin-4-yl)thiophene-3-carboxamide
SMILESCc1sccc1C(=O)NC1CN(C)NC1=O
InChIInChI=1S/C10H13N3O2S/c1-6-7(3-4-16-6)9(14)11-8-5-13(2)12-10(8)15/h3-4,8H,5H2,1-2H3,(H,11,14)(H,12,15)
InChIKeyALLAIEKSDGSJCP-UHFFFAOYSA-N
XLogP0.13
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-(1-methyl-3-oxopyrazolidin-4-yl)carbamate
CID 131091908
2-(methylamino)-N-(1-methyl-3-oxopyrazolidin-4-yl)acetamide
CID 131026035
N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-methylthiophene-3-carboxamide
CID 129488046
bis(2-methylthiophen-3-yl)methanone
CID 101441488
methyl 2-[(3S)-3-[(2-methylfuran-3-carbonyl)amino]-2-oxopyrrolidin-1-yl]thiophene-3-carboxylate
CID 124883948
methyl 2-[(3S)-3-[(5-methylfuran-3-carbonyl)amino]-2-oxopyrrolidin-1-yl]thiophene-3-carboxylate
CID 124619867
(4-methylmorpholin-2-yl)-(2-methylthiophen-3-yl)methanone
CID 102830916
1-methyl-4-(3-methylbutan-2-ylamino)pyrazolidin-3-one
CID 130933775
6-methyl-4-oxo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-pyridine-3-carboxamide
CID 104856721
2-hydroxy-4-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 62844409
N-(2,6-dioxopiperidin-3-yl)-2-methyl-5-(4-oxopiperidin-1-yl)thiophene-3-carboxamide
CID 168987751
(1-methylpyrazol-4-yl)-(2-methylthiophen-3-yl)methanone
CID 102830803

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-methyl-3-oxopyrazolidin-4-yl)thiophene-3-carboxamide?
The IUPAC name of 2-methyl-N-(1-methyl-3-oxopyrazolidin-4-yl)thiophene-3-carboxamide (CID 128562638) is 2-methyl-N-(1-methyl-3-oxopyrazolidin-4-yl)thiophene-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(1-methyl-3-oxopyrazolidin-4-yl)thiophene-3-carboxamide?
The canonical SMILES for 2-methyl-N-(1-methyl-3-oxopyrazolidin-4-yl)thiophene-3-carboxamide is Cc1sccc1C(=O)NC1CN(C)NC1=O.
What is the InChIKey of 2-methyl-N-(1-methyl-3-oxopyrazolidin-4-yl)thiophene-3-carboxamide?
The InChIKey is ALLAIEKSDGSJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-6-7(3-4-16-6)9(14)11-8-5-13(2)12-10(8)15/h3-4,8H,5H2,1-2H3,(H,11,14)(H,12,15).
What are the key properties of 2-methyl-N-(1-methyl-3-oxopyrazolidin-4-yl)thiophene-3-carboxamide?
2-methyl-N-(1-methyl-3-oxopyrazolidin-4-yl)thiophene-3-carboxamide has a molecular weight of 239.30 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-methyl-3-oxopyrazolidin-4-yl)thiophene-3-carboxamide is sourced from PubChem (CID 128562638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).