2-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]pyrazole-3-carboxylic acid

C10H11N5O3 — CID 19485630

IUPAC2-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]pyrazole-3-carboxylic acid
SMILESCn1ccc(NC(=O)Cn2nccc2C(=O)O)n1
InChIInChI=1S/C10H11N5O3/c1-14-5-3-8(13-14)12-9(16)6-15-7(10(17)18)2-4-11-15/h2-5H,6H2,1H3,(H,17,18)(H,12,13,16)
InChIKeyHQXFNAJLSIWWBO-UHFFFAOYSA-N
MW249.23 g/mol
LogP-0.05
Rot. Bonds4

About 2-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]pyrazole-3-carboxylic acid

2-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]pyrazole-3-carboxylic acid (PubChem CID 19485630) has the molecular formula C10H11N5O3 and a molecular weight of 249.23 g/mol. Its IUPAC name is 2-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name2-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]pyrazole-3-carboxylic acid
PubChem CID19485630
Molecular FormulaC10H11N5O3
Molecular Weight249.23 g/mol
Exact Mass249.09
IUPAC Name2-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]pyrazole-3-carboxylic acid
SMILESCn1ccc(NC(=O)Cn2nccc2C(=O)O)n1
InChIInChI=1S/C10H11N5O3/c1-14-5-3-8(13-14)12-9(16)6-15-7(10(17)18)2-4-11-15/h2-5H,6H2,1H3,(H,17,18)(H,12,13,16)
InChIKeyHQXFNAJLSIWWBO-UHFFFAOYSA-N
XLogP-0.05
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-oxo-2-(pyridin-4-ylamino)ethyl]pyrazole-3-carboxylic acid
CID 19482824
2-[2-(4-ethylanilino)-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485417
2-(4-aminopiperidin-1-yl)-N-(1-methylpyrazol-3-yl)acetamide
CID 79327473
2-[2-[(1-ethylpyrazol-4-yl)amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485746
2-(carboxymethyl)pyrazole-3-carboxylic acid
CID 19485803
2-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485568
2-[2-[[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485639
2-[2-[[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19482801
2-propylpyrazole-3-carboxylic acid
CID 7017775
2-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 91842692
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(1-methylpyrazol-3-yl)acetamide
CID 135112335
2-[2-[[1-(ethoxymethyl)pyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485687

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]pyrazole-3-carboxylic acid?
The IUPAC name of 2-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]pyrazole-3-carboxylic acid (CID 19485630) is 2-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 2-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 2-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]pyrazole-3-carboxylic acid is Cn1ccc(NC(=O)Cn2nccc2C(=O)O)n1.
What is the InChIKey of 2-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]pyrazole-3-carboxylic acid?
The InChIKey is HQXFNAJLSIWWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O3/c1-14-5-3-8(13-14)12-9(16)6-15-7(10(17)18)2-4-11-15/h2-5H,6H2,1H3,(H,17,18)(H,12,13,16).
What are the key properties of 2-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]pyrazole-3-carboxylic acid?
2-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]pyrazole-3-carboxylic acid has a molecular weight of 249.23 g/mol, XLogP of -0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 19485630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).