2-[(5-ethyl-1-methylpyrazole-4-carbonyl)amino]propanoic acid

C10H15N3O3 — CID 115731144

IUPAC2-[(5-ethyl-1-methylpyrazole-4-carbonyl)amino]propanoic acid
SMILESCCc1c(C(=O)NC(C)C(=O)O)cnn1C
InChIInChI=1S/C10H15N3O3/c1-4-8-7(5-11-13(8)3)9(14)12-6(2)10(15)16/h5-6H,4H2,1-3H3,(H,12,14)(H,15,16)
InChIKeyXLJJKAZSNSKHGN-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.19
Rot. Bonds4

About 2-[(5-ethyl-1-methylpyrazole-4-carbonyl)amino]propanoic acid

2-[(5-ethyl-1-methylpyrazole-4-carbonyl)amino]propanoic acid (PubChem CID 115731144) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-[(5-ethyl-1-methylpyrazole-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(5-ethyl-1-methylpyrazole-4-carbonyl)amino]propanoic acid
PubChem CID115731144
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-[(5-ethyl-1-methylpyrazole-4-carbonyl)amino]propanoic acid
SMILESCCc1c(C(=O)NC(C)C(=O)O)cnn1C
InChIInChI=1S/C10H15N3O3/c1-4-8-7(5-11-13(8)3)9(14)12-6(2)10(15)16/h5-6H,4H2,1-3H3,(H,12,14)(H,15,16)
InChIKeyXLJJKAZSNSKHGN-UHFFFAOYSA-N
XLogP0.19
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(5-ethyl-1-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 103790993
2-[(5-bromo-1-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 127019911
5-ethyl-1-methylpyrazole-4-carbohydrazide;hydrochloride
CID 130616096
(2R)-2-[(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]propanoic acid
CID 54991451
5-ethyl-1-methylpyrazole-4-carboxylic acid;hydrochloride
CID 54594161
(2R)-2-[[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]amino]propanoic acid
CID 119244369
2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]propanoic acid
CID 120523692
1-(5-ethyl-1-methylpyrazol-4-yl)ethanone
CID 23005694
1,5-dimethyl-N-(3-oxopentan-2-yl)pyrazole-4-carboxamide
CID 64991676
2-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]propanoic acid
CID 120523713
(2S)-2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-4-methylpentanoic acid
CID 28777199
(2R)-2-[(1,3-dimethylpyrazole-4-carbonyl)amino]propanoic acid
CID 103791188

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-1-methylpyrazole-4-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[(5-ethyl-1-methylpyrazole-4-carbonyl)amino]propanoic acid (CID 115731144) is 2-[(5-ethyl-1-methylpyrazole-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[(5-ethyl-1-methylpyrazole-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[(5-ethyl-1-methylpyrazole-4-carbonyl)amino]propanoic acid is CCc1c(C(=O)NC(C)C(=O)O)cnn1C.
What is the InChIKey of 2-[(5-ethyl-1-methylpyrazole-4-carbonyl)amino]propanoic acid?
The InChIKey is XLJJKAZSNSKHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-4-8-7(5-11-13(8)3)9(14)12-6(2)10(15)16/h5-6H,4H2,1-3H3,(H,12,14)(H,15,16).
What are the key properties of 2-[(5-ethyl-1-methylpyrazole-4-carbonyl)amino]propanoic acid?
2-[(5-ethyl-1-methylpyrazole-4-carbonyl)amino]propanoic acid has a molecular weight of 225.25 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-1-methylpyrazole-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 115731144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).