2-[1-(ethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid

C9H13N3O3 — CID 19489814

IUPAC2-[1-(ethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
SMILESCCNC(=O)C(C)n1nccc1C(=O)O
InChIInChI=1S/C9H13N3O3/c1-3-10-8(13)6(2)12-7(9(14)15)4-5-11-12/h4-6H,3H2,1-2H3,(H,10,13)(H,14,15)
InChIKeyZXJLYMAZHNNFKG-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.28
Rot. Bonds4

About 2-[1-(ethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid

2-[1-(ethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid (PubChem CID 19489814) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-[1-(ethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name2-[1-(ethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
PubChem CID19489814
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name2-[1-(ethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
SMILESCCNC(=O)C(C)n1nccc1C(=O)O
InChIInChI=1S/C9H13N3O3/c1-3-10-8(13)6(2)12-7(9(14)15)4-5-11-12/h4-6H,3H2,1-2H3,(H,10,13)(H,14,15)
InChIKeyZXJLYMAZHNNFKG-UHFFFAOYSA-N
XLogP0.28
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(butylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19489815
2-[1-(3-ethoxypropylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19489817
2-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19489808
2-(1-carboxyethyl)pyrazole-3-carboxylic acid
CID 19489942
2-[1-(heptan-2-ylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19489807
2-[1-(4-methylanilino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19488055
2-[1-[1-(1-ethyl-3-methylpyrazol-4-yl)ethylamino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19489660
2-[1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19489681
2-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19487885
2-[1-[[1-ethyl-3-(oxolan-2-ylmethylcarbamoyl)pyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19489858
2-[1-[3-[(4-bromopyrazol-1-yl)methyl]anilino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19489694
2-(1-cyclopropylethyl)pyrazole-3-carboxylic acid
CID 164806432

Frequently Asked Questions

What is the IUPAC name of 2-[1-(ethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid?
The IUPAC name of 2-[1-(ethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid (CID 19489814) is 2-[1-(ethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 2-[1-(ethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid?
The canonical SMILES for 2-[1-(ethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid is CCNC(=O)C(C)n1nccc1C(=O)O.
What is the InChIKey of 2-[1-(ethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid?
The InChIKey is ZXJLYMAZHNNFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-3-10-8(13)6(2)12-7(9(14)15)4-5-11-12/h4-6H,3H2,1-2H3,(H,10,13)(H,14,15).
What are the key properties of 2-[1-(ethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid?
2-[1-(ethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid has a molecular weight of 211.22 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(ethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 19489814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).