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

C12H14N4O3 — CID 54991451

IUPAC(2R)-2-[(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]propanoic acid
SMILESC[C@@H](NC(=O)c1cnn(C)c1-n1cccc1)C(=O)O
InChIInChI=1S/C12H14N4O3/c1-8(12(18)19)14-10(17)9-7-13-15(2)11(9)16-5-3-4-6-16/h3-8H,1-2H3,(H,14,17)(H,18,19)/t8-/m1/s1
InChIKeyXWCUBTCAVVTDMF-MRVPVSSYSA-N
MW262.27 g/mol
LogP0.41
Rot. Bonds4

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

(2R)-2-[(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]propanoic acid (PubChem CID 54991451) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is (2R)-2-[(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]propanoic acid
PubChem CID54991451
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name(2R)-2-[(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]propanoic acid
SMILESC[C@@H](NC(=O)c1cnn(C)c1-n1cccc1)C(=O)O
InChIInChI=1S/C12H14N4O3/c1-8(12(18)19)14-10(17)9-7-13-15(2)11(9)16-5-3-4-6-16/h3-8H,1-2H3,(H,14,17)(H,18,19)/t8-/m1/s1
InChIKeyXWCUBTCAVVTDMF-MRVPVSSYSA-N
XLogP0.41
TPSA89.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-heptan-2-yl-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 51053307
2-[(5-bromo-1-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 127019911
N-[1-(1-adamantyl)ethyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 78844305
2-[(5-ethyl-1-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 115731144
(2S)-2-[(5-ethyl-1-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 103790993
1-methyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 94025927
1-methyl-N-(1-methylpyrazol-3-yl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 38105120
1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl fluoride
CID 58724547
N-[1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 134007071
3-methyl-3-[(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]butanoic acid
CID 64671878
N-(1-hydroxy-2-methylbutan-2-yl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 64557740
4-[[(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]methyl]benzoic acid
CID 100634698

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]propanoic acid?
The IUPAC name of (2R)-2-[(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]propanoic acid (CID 54991451) is (2R)-2-[(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2R)-2-[(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]propanoic acid?
The canonical SMILES for (2R)-2-[(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]propanoic acid is C[C@@H](NC(=O)c1cnn(C)c1-n1cccc1)C(=O)O.
What is the InChIKey of (2R)-2-[(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]propanoic acid?
The InChIKey is XWCUBTCAVVTDMF-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-8(12(18)19)14-10(17)9-7-13-15(2)11(9)16-5-3-4-6-16/h3-8H,1-2H3,(H,14,17)(H,18,19)/t8-/m1/s1.
What are the key properties of (2R)-2-[(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]propanoic acid?
(2R)-2-[(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]propanoic acid has a molecular weight of 262.27 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 54991451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).