2-[(2-methylpyrazole-3-carbonyl)amino]-2-thiophen-2-ylacetic acid

C11H11N3O3S — CID 115283978

IUPAC2-[(2-methylpyrazole-3-carbonyl)amino]-2-thiophen-2-ylacetic acid
SMILESCn1nccc1C(=O)NC(C(=O)O)c1cccs1
InChIInChI=1S/C11H11N3O3S/c1-14-7(4-5-12-14)10(15)13-9(11(16)17)8-3-2-6-18-8/h2-6,9H,1H3,(H,13,15)(H,16,17)
InChIKeyRUTDMHJWDLSSQI-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.04
Rot. Bonds4

About 2-[(2-methylpyrazole-3-carbonyl)amino]-2-thiophen-2-ylacetic acid

2-[(2-methylpyrazole-3-carbonyl)amino]-2-thiophen-2-ylacetic acid (PubChem CID 115283978) has the molecular formula C11H11N3O3S and a molecular weight of 265.29 g/mol. Its IUPAC name is 2-[(2-methylpyrazole-3-carbonyl)amino]-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-[(2-methylpyrazole-3-carbonyl)amino]-2-thiophen-2-ylacetic acid
PubChem CID115283978
Molecular FormulaC11H11N3O3S
Molecular Weight265.29 g/mol
Exact Mass265.05
IUPAC Name2-[(2-methylpyrazole-3-carbonyl)amino]-2-thiophen-2-ylacetic acid
SMILESCn1nccc1C(=O)NC(C(=O)O)c1cccs1
InChIInChI=1S/C11H11N3O3S/c1-14-7(4-5-12-14)10(15)13-9(11(16)17)8-3-2-6-18-8/h2-6,9H,1H3,(H,13,15)(H,16,17)
InChIKeyRUTDMHJWDLSSQI-UHFFFAOYSA-N
XLogP1.04
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-methylpyrrole-2-carbonyl)amino]-2-thiophen-2-ylacetic acid
CID 113278622
(2R)-2-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid
CID 78972778
2-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]-2-thiophen-2-ylacetic acid
CID 115283800
2-methyl-N-propan-2-ylpyrazole-3-carboxamide
CID 19475610
2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-2-thiophen-2-ylacetic acid
CID 115284026
2-[(1-methylpyrazol-4-yl)carbamoylamino]-2-thiophen-2-ylacetic acid
CID 113278892
(2S)-3,3-dimethyl-2-[(2-methylpyrazole-3-carbonyl)amino]butanoic acid
CID 61143265
2-acetamido-2-thiophen-2-ylacetic acid;methane
CID 21485358
2-(pyridine-3-carbonylamino)-2-thiophen-2-ylacetic acid
CID 113278603
2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-thiophen-2-ylacetic acid
CID 115284684
2-[(2-pyrazol-1-ylacetyl)amino]-2-thiophen-2-ylacetic acid
CID 115283765
2-methyl-N'-(2-methylpyrazole-3-carbonyl)pyrazole-3-carbohydrazide
CID 899926

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpyrazole-3-carbonyl)amino]-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-[(2-methylpyrazole-3-carbonyl)amino]-2-thiophen-2-ylacetic acid (CID 115283978) is 2-[(2-methylpyrazole-3-carbonyl)amino]-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-[(2-methylpyrazole-3-carbonyl)amino]-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-[(2-methylpyrazole-3-carbonyl)amino]-2-thiophen-2-ylacetic acid is Cn1nccc1C(=O)NC(C(=O)O)c1cccs1.
What is the InChIKey of 2-[(2-methylpyrazole-3-carbonyl)amino]-2-thiophen-2-ylacetic acid?
The InChIKey is RUTDMHJWDLSSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3S/c1-14-7(4-5-12-14)10(15)13-9(11(16)17)8-3-2-6-18-8/h2-6,9H,1H3,(H,13,15)(H,16,17).
What are the key properties of 2-[(2-methylpyrazole-3-carbonyl)amino]-2-thiophen-2-ylacetic acid?
2-[(2-methylpyrazole-3-carbonyl)amino]-2-thiophen-2-ylacetic acid has a molecular weight of 265.29 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpyrazole-3-carbonyl)amino]-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 115283978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).