2-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid

C10H16N4O3 — CID 19485568

IUPAC2-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
SMILESCN(C)CCNC(=O)Cn1nccc1C(=O)O
InChIInChI=1S/C10H16N4O3/c1-13(2)6-5-11-9(15)7-14-8(10(16)17)3-4-12-14/h3-4H,5-7H2,1-2H3,(H,11,15)(H,16,17)
InChIKeyUBXCYPLQCLCSNX-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.74
Rot. Bonds6

About 2-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid

2-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid (PubChem CID 19485568) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name2-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
PubChem CID19485568
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name2-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
SMILESCN(C)CCNC(=O)Cn1nccc1C(=O)O
InChIInChI=1S/C10H16N4O3/c1-13(2)6-5-11-9(15)7-14-8(10(16)17)3-4-12-14/h3-4H,5-7H2,1-2H3,(H,11,15)(H,16,17)
InChIKeyUBXCYPLQCLCSNX-UHFFFAOYSA-N
XLogP-0.74
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-oxo-2-(2-phenylethylamino)ethyl]pyrazole-3-carboxylic acid
CID 19485535
2-[2-(3-ethoxypropylamino)-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485678
2-[2-(tert-butylamino)-2-oxoethyl]pyrazole-3-carboxylic acid
CID 60780045
2-(carboxymethyl)pyrazole-3-carboxylic acid
CID 19485803
2-[2-[3-(4-bromo-3-methylpyrazol-1-yl)propylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485622
2-(4-chloroindazol-1-yl)-N-[2-(dimethylamino)ethyl]acetamide
CID 6625503
2-[2-[(1-ethylpyrazol-4-yl)amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485746
2-[2-(1-adamantylmethylamino)-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485553
2-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485630
2-(benzotriazol-1-yl)-N-[2-(dimethylamino)ethyl]acetamide
CID 10377301
2-[2-[1-(2-ethylpyrazol-3-yl)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485649
2-propylpyrazole-3-carboxylic acid
CID 7017775

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid?
The IUPAC name of 2-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid (CID 19485568) is 2-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 2-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 2-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid is CN(C)CCNC(=O)Cn1nccc1C(=O)O.
What is the InChIKey of 2-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid?
The InChIKey is UBXCYPLQCLCSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-13(2)6-5-11-9(15)7-14-8(10(16)17)3-4-12-14/h3-4H,5-7H2,1-2H3,(H,11,15)(H,16,17).
What are the key properties of 2-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid?
2-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid has a molecular weight of 240.26 g/mol, XLogP of -0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 19485568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).