3-[[2-(dimethylamino)acetyl]amino]-5-methyl-1H-pyrazole-4-carboxylic acid

C9H14N4O3 — CID 110479872

IUPAC3-[[2-(dimethylamino)acetyl]amino]-5-methyl-1H-pyrazole-4-carboxylic acid
SMILESCc1[nH]nc(NC(=O)CN(C)C)c1C(=O)O
InChIInChI=1S/C9H14N4O3/c1-5-7(9(15)16)8(12-11-5)10-6(14)4-13(2)3/h4H2,1-3H3,(H,15,16)(H2,10,11,12,14)
InChIKeyBOYQSTMSFJLGJJ-UHFFFAOYSA-N
MW226.24 g/mol
LogP-0.08
Rot. Bonds4

About 3-[[2-(dimethylamino)acetyl]amino]-5-methyl-1H-pyrazole-4-carboxylic acid

3-[[2-(dimethylamino)acetyl]amino]-5-methyl-1H-pyrazole-4-carboxylic acid (PubChem CID 110479872) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is 3-[[2-(dimethylamino)acetyl]amino]-5-methyl-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(dimethylamino)acetyl]amino]-5-methyl-1H-pyrazole-4-carboxylic acid
PubChem CID110479872
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name3-[[2-(dimethylamino)acetyl]amino]-5-methyl-1H-pyrazole-4-carboxylic acid
SMILESCc1[nH]nc(NC(=O)CN(C)C)c1C(=O)O
InChIInChI=1S/C9H14N4O3/c1-5-7(9(15)16)8(12-11-5)10-6(14)4-13(2)3/h4H2,1-3H3,(H,15,16)(H2,10,11,12,14)
InChIKeyBOYQSTMSFJLGJJ-UHFFFAOYSA-N
XLogP-0.08
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[[2-(dimethylamino)acetyl]amino]-5-methyl-1H-pyrazole-4-carboxylate
CID 110479738
5-methyl-3-(propanoylamino)-1H-pyrazole-4-carboxylic acid
CID 110477564
5-methyl-3-[(4,4,4-trifluoro-3-oxobutanoyl)amino]-1H-pyrazole-4-carboxylic acid
CID 110479400
3-[(2-amino-3-hydroxypropanoyl)amino]-5-methyl-1H-pyrazole-4-carboxylic acid
CID 110480754
2-[acetyl(methyl)amino]-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
CID 115610237
N-[2-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-N-methylbenzamide
CID 115610254
3-(2,6-diethylanilino)-5-methyl-1H-pyrazole-4-carboxylic acid
CID 19847535
3-(2,2-dimethylpropyl)-5-methyl-1H-pyrazole-4-carboxylic acid
CID 82377943
ethyl 5-methyl-3-(3-methylbutanoylamino)-1H-pyrazole-4-carboxylate
CID 110460684
2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
CID 104618733
2-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
CID 104617747
3-(carboxymethyl)-5-methyl-1H-pyrazole-4-carboxylic acid
CID 82468455

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(dimethylamino)acetyl]amino]-5-methyl-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 3-[[2-(dimethylamino)acetyl]amino]-5-methyl-1H-pyrazole-4-carboxylic acid (CID 110479872) is 3-[[2-(dimethylamino)acetyl]amino]-5-methyl-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 3-[[2-(dimethylamino)acetyl]amino]-5-methyl-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 3-[[2-(dimethylamino)acetyl]amino]-5-methyl-1H-pyrazole-4-carboxylic acid is Cc1[nH]nc(NC(=O)CN(C)C)c1C(=O)O.
What is the InChIKey of 3-[[2-(dimethylamino)acetyl]amino]-5-methyl-1H-pyrazole-4-carboxylic acid?
The InChIKey is BOYQSTMSFJLGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c1-5-7(9(15)16)8(12-11-5)10-6(14)4-13(2)3/h4H2,1-3H3,(H,15,16)(H2,10,11,12,14).
What are the key properties of 3-[[2-(dimethylamino)acetyl]amino]-5-methyl-1H-pyrazole-4-carboxylic acid?
3-[[2-(dimethylamino)acetyl]amino]-5-methyl-1H-pyrazole-4-carboxylic acid has a molecular weight of 226.24 g/mol, XLogP of -0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(dimethylamino)acetyl]amino]-5-methyl-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 110479872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).