2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-thiophen-2-ylacetamide

C13H18N4OS — CID 112669206

IUPAC2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-thiophen-2-ylacetamide
SMILESCCc1nn(C)cc1CNC(=O)C(N)c1cccs1
InChIInChI=1S/C13H18N4OS/c1-3-10-9(8-17(2)16-10)7-15-13(18)12(14)11-5-4-6-19-11/h4-6,8,12H,3,7,14H2,1-2H3,(H,15,18)
InChIKeyAMQIPJAEOCREQY-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.36
Rot. Bonds5

About 2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-thiophen-2-ylacetamide

2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-thiophen-2-ylacetamide (PubChem CID 112669206) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound Name2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-thiophen-2-ylacetamide
PubChem CID112669206
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-thiophen-2-ylacetamide
SMILESCCc1nn(C)cc1CNC(=O)C(N)c1cccs1
InChIInChI=1S/C13H18N4OS/c1-3-10-9(8-17(2)16-10)7-15-13(18)12(14)11-5-4-6-19-11/h4-6,8,12H,3,7,14H2,1-2H3,(H,15,18)
InChIKeyAMQIPJAEOCREQY-UHFFFAOYSA-N
XLogP1.36
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]butanamide
CID 112668671
2-amino-N-[(1-methylimidazol-2-yl)methyl]-2-thiophen-2-ylacetamide
CID 115287266
2-amino-N-[(1-methylpyrrol-2-yl)methyl]-2-thiophen-2-ylacetamide
CID 114186154
2-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,4-dimethylpentanamide
CID 107472643
(3Z)-3-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-hydroxyimino-2-methylpropanamide
CID 112671821
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(N'-hydroxycarbamimidoyl)butanamide
CID 103955907
3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,1-dimethylurea
CID 115887051
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylbutanamide
CID 115991428
2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide
CID 112669353
2-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-thiophen-2-ylacetamide
CID 115287032
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-thiophen-2-ylethanamine
CID 112549165
2-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenylacetamide
CID 112669565

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-thiophen-2-ylacetamide?
The IUPAC name of 2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-thiophen-2-ylacetamide (CID 112669206) is 2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for 2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for 2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-thiophen-2-ylacetamide is CCc1nn(C)cc1CNC(=O)C(N)c1cccs1.
What is the InChIKey of 2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-thiophen-2-ylacetamide?
The InChIKey is AMQIPJAEOCREQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-3-10-9(8-17(2)16-10)7-15-13(18)12(14)11-5-4-6-19-11/h4-6,8,12H,3,7,14H2,1-2H3,(H,15,18).
What are the key properties of 2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-thiophen-2-ylacetamide?
2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-thiophen-2-ylacetamide has a molecular weight of 278.38 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 112669206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).