2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-thiophen-2-ylacetamide

C12H16N4O2S — CID 115286389

IUPAC2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-thiophen-2-ylacetamide
SMILESCOCCn1cc(NC(=O)C(N)c2cccs2)cn1
InChIInChI=1S/C12H16N4O2S/c1-18-5-4-16-8-9(7-14-16)15-12(17)11(13)10-3-2-6-19-10/h2-3,6-8,11H,4-5,13H2,1H3,(H,15,17)
InChIKeyKIDXIYHIJPLLGS-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.23
Rot. Bonds6

About 2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-thiophen-2-ylacetamide

2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-thiophen-2-ylacetamide (PubChem CID 115286389) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound Name2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-thiophen-2-ylacetamide
PubChem CID115286389
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-thiophen-2-ylacetamide
SMILESCOCCn1cc(NC(=O)C(N)c2cccs2)cn1
InChIInChI=1S/C12H16N4O2S/c1-18-5-4-16-8-9(7-14-16)15-12(17)11(13)10-3-2-6-19-10/h2-3,6-8,11H,4-5,13H2,1H3,(H,15,17)
InChIKeyKIDXIYHIJPLLGS-UHFFFAOYSA-N
XLogP1.23
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]propanamide;hydrochloride
CID 119292252
2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methylbutanamide;hydrochloride
CID 119292257
2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]pentanamide;hydrochloride
CID 119292254
4-amino-5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-5-oxopentanoic acid
CID 64895222
2-amino-N-(4-methoxybutyl)-2-thiophen-2-ylacetamide
CID 115287104
2,6-dihydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 103749044
methyl N-[(2R)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 95148726
2-amino-N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazol-4-yl]-2-phenylacetamide
CID 119333449
2-(aminomethyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide
CID 66377447
2-(N'-hydroxycarbamimidoyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methylbutanamide
CID 76926717
2-amino-N-[2-(2-methoxyethyl)phenyl]-2-thiophen-2-ylacetamide
CID 102905627
1-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrazol-4-amine
CID 43728977

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of 2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-thiophen-2-ylacetamide (CID 115286389) is 2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for 2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for 2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-thiophen-2-ylacetamide is COCCn1cc(NC(=O)C(N)c2cccs2)cn1.
What is the InChIKey of 2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-thiophen-2-ylacetamide?
The InChIKey is KIDXIYHIJPLLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-18-5-4-16-8-9(7-14-16)15-12(17)11(13)10-3-2-6-19-10/h2-3,6-8,11H,4-5,13H2,1H3,(H,15,17).
What are the key properties of 2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-thiophen-2-ylacetamide?
2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-thiophen-2-ylacetamide has a molecular weight of 280.35 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 115286389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).