5-[(2-aminoacetyl)amino]-1-methylpyrazole-4-carboxylic acid

C7H10N4O3 — CID 110477668

IUPAC5-[(2-aminoacetyl)amino]-1-methylpyrazole-4-carboxylic acid
SMILESCn1ncc(C(=O)O)c1NC(=O)CN
InChIInChI=1S/C7H10N4O3/c1-11-6(10-5(12)2-8)4(3-9-11)7(13)14/h3H,2,8H2,1H3,(H,10,12)(H,13,14)
InChIKeyVAGYMNOBFHSILO-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.98
Rot. Bonds3

About 5-[(2-aminoacetyl)amino]-1-methylpyrazole-4-carboxylic acid

5-[(2-aminoacetyl)amino]-1-methylpyrazole-4-carboxylic acid (PubChem CID 110477668) has the molecular formula C7H10N4O3 and a molecular weight of 198.18 g/mol. Its IUPAC name is 5-[(2-aminoacetyl)amino]-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(2-aminoacetyl)amino]-1-methylpyrazole-4-carboxylic acid
PubChem CID110477668
Molecular FormulaC7H10N4O3
Molecular Weight198.18 g/mol
Exact Mass198.08
IUPAC Name5-[(2-aminoacetyl)amino]-1-methylpyrazole-4-carboxylic acid
SMILESCn1ncc(C(=O)O)c1NC(=O)CN
InChIInChI=1S/C7H10N4O3/c1-11-6(10-5(12)2-8)4(3-9-11)7(13)14/h3H,2,8H2,1H3,(H,10,12)(H,13,14)
InChIKeyVAGYMNOBFHSILO-UHFFFAOYSA-N
XLogP-0.98
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-5-(propanoylamino)pyrazole-4-carboxylic acid
CID 110477561
5-(3-chloropropanoylamino)-1-methylpyrazole-4-carboxylic acid
CID 110480863
2-amino-N-(4-cyano-1-methylpyrazol-5-yl)acetamide
CID 110470006
5-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-1-methylpyrazole-4-carboxylic acid
CID 110482803
5-(aminomethyl)-1-methylpyrazole-4-carboxylic acid;hydrochloride
CID 75468759
1-methyl-5-[(2-phenylacetyl)amino]pyrazole-4-carboxamide
CID 110472119
5-(2-hydroxypropylamino)-1-methylpyrazole-4-carboxylic acid
CID 69159232
5-(2-methoxyethylamino)-1-methylpyrazole-4-carboxylic acid
CID 142758448
1-methyl-5-(pyridine-3-carbonylamino)pyrazole-4-carboxylic acid
CID 110482023
5-(ethylsulfamoylamino)-1-methylpyrazole-4-carboxylic acid
CID 114805356
5-ethyl-1-methylpyrazole-4-carboxylic acid;hydrochloride
CID 54594161
5-[2-(4-carboxy-3,3-dimethylbutanoyl)hydrazinyl]-1-methylpyrazole-4-carboxylic acid
CID 2809473

Frequently Asked Questions

What is the IUPAC name of 5-[(2-aminoacetyl)amino]-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 5-[(2-aminoacetyl)amino]-1-methylpyrazole-4-carboxylic acid (CID 110477668) is 5-[(2-aminoacetyl)amino]-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[(2-aminoacetyl)amino]-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-[(2-aminoacetyl)amino]-1-methylpyrazole-4-carboxylic acid is Cn1ncc(C(=O)O)c1NC(=O)CN.
What is the InChIKey of 5-[(2-aminoacetyl)amino]-1-methylpyrazole-4-carboxylic acid?
The InChIKey is VAGYMNOBFHSILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O3/c1-11-6(10-5(12)2-8)4(3-9-11)7(13)14/h3H,2,8H2,1H3,(H,10,12)(H,13,14).
What are the key properties of 5-[(2-aminoacetyl)amino]-1-methylpyrazole-4-carboxylic acid?
5-[(2-aminoacetyl)amino]-1-methylpyrazole-4-carboxylic acid has a molecular weight of 198.18 g/mol, XLogP of -0.98, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-aminoacetyl)amino]-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 110477668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).