2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]propanoic acid

C13H14N4O3 — CID 108793355

IUPAC2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]propanoic acid
SMILESCc1c(C(=O)NC(C)C(=O)O)cnn1-c1ccccn1
InChIInChI=1S/C13H14N4O3/c1-8(13(19)20)16-12(18)10-7-15-17(9(10)2)11-5-3-4-6-14-11/h3-8H,1-2H3,(H,16,18)(H,19,20)
InChIKeyPLYPIDHKHYORGG-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.78
Rot. Bonds4

About 2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]propanoic acid

2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]propanoic acid (PubChem CID 108793355) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]propanoic acid
PubChem CID108793355
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]propanoic acid
SMILESCc1c(C(=O)NC(C)C(=O)O)cnn1-c1ccccn1
InChIInChI=1S/C13H14N4O3/c1-8(13(19)20)16-12(18)10-7-15-17(9(10)2)11-5-3-4-6-14-11/h3-8H,1-2H3,(H,16,18)(H,19,20)
InChIKeyPLYPIDHKHYORGG-UHFFFAOYSA-N
XLogP0.78
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108793345
5-methyl-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 10998462
ethyl 2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]-2-phenylacetate
CID 108805316
3-(4-hydroxyphenyl)-2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]propanoic acid
CID 108793413
N-tert-butyl-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 47166966
N-[1-(2-fluorophenyl)propan-2-yl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 86830130
N-(2-hydroxy-2,3-dimethylbutyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 111484404
N-(2-aminoethyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108793385
2-[[2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]acetyl]amino]acetic acid
CID 108793421
5-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 39102158
5-methyl-N-[4-(3-methylbutanoylamino)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 46546318
N-(2-fluorophenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 15944125

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]propanoic acid (CID 108793355) is 2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]propanoic acid is Cc1c(C(=O)NC(C)C(=O)O)cnn1-c1ccccn1.
What is the InChIKey of 2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]propanoic acid?
The InChIKey is PLYPIDHKHYORGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-8(13(19)20)16-12(18)10-7-15-17(9(10)2)11-5-3-4-6-14-11/h3-8H,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]propanoic acid?
2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]propanoic acid has a molecular weight of 274.28 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 108793355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).