2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-(thiophen-2-ylmethylideneamino)acetamide

C11H12N4O2S — CID 681491

IUPAC2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-(thiophen-2-ylmethylideneamino)acetamide
SMILESCc1[nH][nH]c(=O)c1CC(=O)NN=Cc1cccs1
InChIInChI=1S/C11H12N4O2S/c1-7-9(11(17)15-13-7)5-10(16)14-12-6-8-3-2-4-18-8/h2-4,6H,5H2,1H3,(H,14,16)(H2,13,15,17)
InChIKeyAIGIEVNCAMJEPP-UHFFFAOYSA-N
MW264.31 g/mol
LogP0.77
Rot. Bonds4

About 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-(thiophen-2-ylmethylideneamino)acetamide

2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-(thiophen-2-ylmethylideneamino)acetamide (PubChem CID 681491) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-(thiophen-2-ylmethylideneamino)acetamide.

Molecular Properties

Compound Name2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-(thiophen-2-ylmethylideneamino)acetamide
PubChem CID681491
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC Name2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-(thiophen-2-ylmethylideneamino)acetamide
SMILESCc1[nH][nH]c(=O)c1CC(=O)NN=Cc1cccs1
InChIInChI=1S/C11H12N4O2S/c1-7-9(11(17)15-13-7)5-10(16)14-12-6-8-3-2-4-18-8/h2-4,6H,5H2,1H3,(H,14,16)(H2,13,15,17)
InChIKeyAIGIEVNCAMJEPP-UHFFFAOYSA-N
XLogP0.77
TPSA90.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide
CID 6069999
2-(4-hydroxyphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 26871383
2-(4-tert-butylphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 6368519
2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide
CID 6884838
2-(dimethylamino)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
CID 15703243
2-(2-chloro-6-fluorophenyl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
CID 25237585
N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide
CID 4127036
3-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]propanamide
CID 7064167
N-[(E)-thiophen-2-ylmethylideneamino]octanamide
CID 6894116
N-(thiophen-2-ylmethylideneamino)octadecanamide
CID 75087356
N-(thiophen-2-ylmethylideneamino)undecanamide
CID 2164157
2-(2-methyl-1,3-dioxolan-2-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 5392256

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-(thiophen-2-ylmethylideneamino)acetamide?
The IUPAC name of 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-(thiophen-2-ylmethylideneamino)acetamide (CID 681491) is 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-(thiophen-2-ylmethylideneamino)acetamide.
What is the SMILES notation for 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-(thiophen-2-ylmethylideneamino)acetamide?
The canonical SMILES for 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-(thiophen-2-ylmethylideneamino)acetamide is Cc1[nH][nH]c(=O)c1CC(=O)NN=Cc1cccs1.
What is the InChIKey of 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-(thiophen-2-ylmethylideneamino)acetamide?
The InChIKey is AIGIEVNCAMJEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c1-7-9(11(17)15-13-7)5-10(16)14-12-6-8-3-2-4-18-8/h2-4,6H,5H2,1H3,(H,14,16)(H2,13,15,17).
What are the key properties of 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-(thiophen-2-ylmethylideneamino)acetamide?
2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-(thiophen-2-ylmethylideneamino)acetamide has a molecular weight of 264.31 g/mol, XLogP of 0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-(thiophen-2-ylmethylideneamino)acetamide is sourced from PubChem (CID 681491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).