2-[4-[(1,2-dimethylimidazol-4-yl)sulfonylamino]pyrazol-1-yl]acetic acid

C10H13N5O4S — CID 62063149

IUPAC2-[4-[(1,2-dimethylimidazol-4-yl)sulfonylamino]pyrazol-1-yl]acetic acid
SMILESCc1nc(S(=O)(=O)Nc2cnn(CC(=O)O)c2)cn1C
InChIInChI=1S/C10H13N5O4S/c1-7-12-9(5-14(7)2)20(18,19)13-8-3-11-15(4-8)6-10(16)17/h3-5,13H,6H2,1-2H3,(H,16,17)
InChIKeyZYJDTMRBUQBELP-UHFFFAOYSA-N
MW299.31 g/mol
LogP-0.19
Rot. Bonds5

About 2-[4-[(1,2-dimethylimidazol-4-yl)sulfonylamino]pyrazol-1-yl]acetic acid

2-[4-[(1,2-dimethylimidazol-4-yl)sulfonylamino]pyrazol-1-yl]acetic acid (PubChem CID 62063149) has the molecular formula C10H13N5O4S and a molecular weight of 299.31 g/mol. Its IUPAC name is 2-[4-[(1,2-dimethylimidazol-4-yl)sulfonylamino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(1,2-dimethylimidazol-4-yl)sulfonylamino]pyrazol-1-yl]acetic acid
PubChem CID62063149
Molecular FormulaC10H13N5O4S
Molecular Weight299.31 g/mol
Exact Mass299.07
IUPAC Name2-[4-[(1,2-dimethylimidazol-4-yl)sulfonylamino]pyrazol-1-yl]acetic acid
SMILESCc1nc(S(=O)(=O)Nc2cnn(CC(=O)O)c2)cn1C
InChIInChI=1S/C10H13N5O4S/c1-7-12-9(5-14(7)2)20(18,19)13-8-3-11-15(4-8)6-10(16)17/h3-5,13H,6H2,1-2H3,(H,16,17)
InChIKeyZYJDTMRBUQBELP-UHFFFAOYSA-N
XLogP-0.19
TPSA119.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1,2-dimethylimidazol-4-yl)sulfonylamino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(1,2-dimethylimidazol-4-yl)sulfonylamino]pyrazol-1-yl]acetic acid (CID 62063149) is 2-[4-[(1,2-dimethylimidazol-4-yl)sulfonylamino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(1,2-dimethylimidazol-4-yl)sulfonylamino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(1,2-dimethylimidazol-4-yl)sulfonylamino]pyrazol-1-yl]acetic acid is Cc1nc(S(=O)(=O)Nc2cnn(CC(=O)O)c2)cn1C.
What is the InChIKey of 2-[4-[(1,2-dimethylimidazol-4-yl)sulfonylamino]pyrazol-1-yl]acetic acid?
The InChIKey is ZYJDTMRBUQBELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O4S/c1-7-12-9(5-14(7)2)20(18,19)13-8-3-11-15(4-8)6-10(16)17/h3-5,13H,6H2,1-2H3,(H,16,17).
What are the key properties of 2-[4-[(1,2-dimethylimidazol-4-yl)sulfonylamino]pyrazol-1-yl]acetic acid?
2-[4-[(1,2-dimethylimidazol-4-yl)sulfonylamino]pyrazol-1-yl]acetic acid has a molecular weight of 299.31 g/mol, XLogP of -0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1,2-dimethylimidazol-4-yl)sulfonylamino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 62063149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).