5-(2-aminopropanoylamino)-1,3-dimethylpyrazole-4-carboxylic acid

C9H14N4O3 — CID 110478911

IUPAC5-(2-aminopropanoylamino)-1,3-dimethylpyrazole-4-carboxylic acid
SMILESCc1nn(C)c(NC(=O)C(C)N)c1C(=O)O
InChIInChI=1S/C9H14N4O3/c1-4(10)8(14)11-7-6(9(15)16)5(2)12-13(7)3/h4H,10H2,1-3H3,(H,11,14)(H,15,16)
InChIKeyJFVGREMVOFLRIZ-UHFFFAOYSA-N
MW226.24 g/mol
LogP-0.29
Rot. Bonds3

About 5-(2-aminopropanoylamino)-1,3-dimethylpyrazole-4-carboxylic acid

5-(2-aminopropanoylamino)-1,3-dimethylpyrazole-4-carboxylic acid (PubChem CID 110478911) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is 5-(2-aminopropanoylamino)-1,3-dimethylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2-aminopropanoylamino)-1,3-dimethylpyrazole-4-carboxylic acid
PubChem CID110478911
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name5-(2-aminopropanoylamino)-1,3-dimethylpyrazole-4-carboxylic acid
SMILESCc1nn(C)c(NC(=O)C(C)N)c1C(=O)O
InChIInChI=1S/C9H14N4O3/c1-4(10)8(14)11-7-6(9(15)16)5(2)12-13(7)3/h4H,10H2,1-3H3,(H,11,14)(H,15,16)
InChIKeyJFVGREMVOFLRIZ-UHFFFAOYSA-N
XLogP-0.29
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-(2-aminopropanoylamino)-1,3-dimethylpyrazole-4-carboxylate
CID 110478908
5-(ethoxycarbonylamino)-1,3-dimethylpyrazole-4-carboxylic acid
CID 110479357
1,3-dimethyl-5-[(2-methyl-3-methylsulfanylpropyl)amino]pyrazole-4-carboxylic acid
CID 63963813
1,3-dimethyl-5-(prop-2-ynylamino)pyrazole-4-carboxylic acid
CID 63758259
5-(cycloheptylamino)-1,3-dimethylpyrazole-4-carboxylic acid
CID 55241149
5-[1-(2-chlorophenyl)ethylamino]-1,3-dimethylpyrazole-4-carboxylic acid
CID 63758433
1,3-dimethyl-5-[(1-methylpyrazol-3-yl)amino]pyrazole-4-carboxylic acid
CID 79778807
3-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]-2-methylpropanoic acid
CID 63756272
(2S)-2-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
CID 79236660
1,4-dimethyl-5-(2-methylpropanoylamino)pyrazole-3-carboxylic acid
CID 102533846
1,3-dimethyl-5-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyrazole-4-carboxylic acid
CID 63757916
5-(1-cyclopropylbutan-2-ylamino)-1,3-dimethylpyrazole-4-carboxylic acid
CID 63995405

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropanoylamino)-1,3-dimethylpyrazole-4-carboxylic acid?
The IUPAC name of 5-(2-aminopropanoylamino)-1,3-dimethylpyrazole-4-carboxylic acid (CID 110478911) is 5-(2-aminopropanoylamino)-1,3-dimethylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(2-aminopropanoylamino)-1,3-dimethylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-(2-aminopropanoylamino)-1,3-dimethylpyrazole-4-carboxylic acid is Cc1nn(C)c(NC(=O)C(C)N)c1C(=O)O.
What is the InChIKey of 5-(2-aminopropanoylamino)-1,3-dimethylpyrazole-4-carboxylic acid?
The InChIKey is JFVGREMVOFLRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c1-4(10)8(14)11-7-6(9(15)16)5(2)12-13(7)3/h4H,10H2,1-3H3,(H,11,14)(H,15,16).
What are the key properties of 5-(2-aminopropanoylamino)-1,3-dimethylpyrazole-4-carboxylic acid?
5-(2-aminopropanoylamino)-1,3-dimethylpyrazole-4-carboxylic acid has a molecular weight of 226.24 g/mol, XLogP of -0.29, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropanoylamino)-1,3-dimethylpyrazole-4-carboxylic acid is sourced from PubChem (CID 110478911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).