3-(1H-imidazol-5-yl)-2-(1H-pyrazol-4-ylsulfonylamino)propanoic acid

C9H11N5O4S — CID 54937478

IUPAC3-(1H-imidazol-5-yl)-2-(1H-pyrazol-4-ylsulfonylamino)propanoic acid
SMILESO=C(O)C(Cc1cnc[nH]1)NS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C9H11N5O4S/c15-9(16)8(1-6-2-10-5-11-6)14-19(17,18)7-3-12-13-4-7/h2-5,8,14H,1H2,(H,10,11)(H,12,13)(H,15,16)
InChIKeyNBCUOHVUBHIRQL-UHFFFAOYSA-N
MW285.28 g/mol
LogP-0.89
Rot. Bonds6

About 3-(1H-imidazol-5-yl)-2-(1H-pyrazol-4-ylsulfonylamino)propanoic acid

3-(1H-imidazol-5-yl)-2-(1H-pyrazol-4-ylsulfonylamino)propanoic acid (PubChem CID 54937478) has the molecular formula C9H11N5O4S and a molecular weight of 285.28 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)-2-(1H-pyrazol-4-ylsulfonylamino)propanoic acid.

Molecular Properties

Compound Name3-(1H-imidazol-5-yl)-2-(1H-pyrazol-4-ylsulfonylamino)propanoic acid
PubChem CID54937478
Molecular FormulaC9H11N5O4S
Molecular Weight285.28 g/mol
Exact Mass285.05
IUPAC Name3-(1H-imidazol-5-yl)-2-(1H-pyrazol-4-ylsulfonylamino)propanoic acid
SMILESO=C(O)C(Cc1cnc[nH]1)NS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C9H11N5O4S/c15-9(16)8(1-6-2-10-5-11-6)14-19(17,18)7-3-12-13-4-7/h2-5,8,14H,1H2,(H,10,11)(H,12,13)(H,15,16)
InChIKeyNBCUOHVUBHIRQL-UHFFFAOYSA-N
XLogP-0.89
TPSA140.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 5-0.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1H-imidazol-5-yl)-2-[[4-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid
CID 67277167
3-(1H-imidazol-5-yl)-2-[(3-methylphenyl)sulfonylamino]propanoic acid
CID 16777074
(2R)-2-(ethylsulfonylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 30053681
(2S)-4-methoxy-4-oxo-2-(1H-pyrazol-4-ylsulfonylamino)butanoic acid
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CID 162305209
CID 162305209
3-(1H-imidazol-5-yl)-2-(2-methoxyethylsulfonylamino)propanoic acid
CID 55010076
(2R)-2-[(2,5-dibromothiophen-3-yl)sulfonylamino]-3-(1H-imidazol-5-yl)propanoic acid
CID 104894416
(2S)-2-[(5-cyanothiophen-2-yl)sulfonylamino]-3-(1H-imidazol-5-yl)propanoic acid
CID 106265324
5-methoxy-5-oxo-2-(1H-pyrazol-4-ylsulfonylamino)pentanoic acid
CID 82786695
2-[(2-formylphenyl)sulfonylamino]-3-(1H-imidazol-5-yl)propanoic acid
CID 89326469
2-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 154742446
(2S)-3-methyl-2-(1H-pyrazol-4-ylsulfonylamino)butanoic acid
CID 61138000

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-yl)-2-(1H-pyrazol-4-ylsulfonylamino)propanoic acid?
The IUPAC name of 3-(1H-imidazol-5-yl)-2-(1H-pyrazol-4-ylsulfonylamino)propanoic acid (CID 54937478) is 3-(1H-imidazol-5-yl)-2-(1H-pyrazol-4-ylsulfonylamino)propanoic acid.
What is the SMILES notation for 3-(1H-imidazol-5-yl)-2-(1H-pyrazol-4-ylsulfonylamino)propanoic acid?
The canonical SMILES for 3-(1H-imidazol-5-yl)-2-(1H-pyrazol-4-ylsulfonylamino)propanoic acid is O=C(O)C(Cc1cnc[nH]1)NS(=O)(=O)c1cn[nH]c1.
What is the InChIKey of 3-(1H-imidazol-5-yl)-2-(1H-pyrazol-4-ylsulfonylamino)propanoic acid?
The InChIKey is NBCUOHVUBHIRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O4S/c15-9(16)8(1-6-2-10-5-11-6)14-19(17,18)7-3-12-13-4-7/h2-5,8,14H,1H2,(H,10,11)(H,12,13)(H,15,16).
What are the key properties of 3-(1H-imidazol-5-yl)-2-(1H-pyrazol-4-ylsulfonylamino)propanoic acid?
3-(1H-imidazol-5-yl)-2-(1H-pyrazol-4-ylsulfonylamino)propanoic acid has a molecular weight of 285.28 g/mol, XLogP of -0.89, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-5-yl)-2-(1H-pyrazol-4-ylsulfonylamino)propanoic acid is sourced from PubChem (CID 54937478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).