3-[(3-methoxy-3-oxopropyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid

C8H11N3O6S — CID 64526321

IUPAC3-[(3-methoxy-3-oxopropyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid
SMILESCOC(=O)CCS(=O)(=O)Nc1cc(C(=O)O)[nH]n1
InChIInChI=1S/C8H11N3O6S/c1-17-7(12)2-3-18(15,16)11-6-4-5(8(13)14)9-10-6/h4H,2-3H2,1H3,(H,13,14)(H2,9,10,11)
InChIKeySRJCVIXASCNUPO-UHFFFAOYSA-N
MW277.26 g/mol
LogP-0.59
Rot. Bonds6

About 3-[(3-methoxy-3-oxopropyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid

3-[(3-methoxy-3-oxopropyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid (PubChem CID 64526321) has the molecular formula C8H11N3O6S and a molecular weight of 277.26 g/mol. Its IUPAC name is 3-[(3-methoxy-3-oxopropyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[(3-methoxy-3-oxopropyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid
PubChem CID64526321
Molecular FormulaC8H11N3O6S
Molecular Weight277.26 g/mol
Exact Mass277.04
IUPAC Name3-[(3-methoxy-3-oxopropyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid
SMILESCOC(=O)CCS(=O)(=O)Nc1cc(C(=O)O)[nH]n1
InChIInChI=1S/C8H11N3O6S/c1-17-7(12)2-3-18(15,16)11-6-4-5(8(13)14)9-10-6/h4H,2-3H2,1H3,(H,13,14)(H2,9,10,11)
InChIKeySRJCVIXASCNUPO-UHFFFAOYSA-N
XLogP-0.59
TPSA138.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxy-3-oxopropyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-[(3-methoxy-3-oxopropyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid (CID 64526321) is 3-[(3-methoxy-3-oxopropyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[(3-methoxy-3-oxopropyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-[(3-methoxy-3-oxopropyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid is COC(=O)CCS(=O)(=O)Nc1cc(C(=O)O)[nH]n1.
What is the InChIKey of 3-[(3-methoxy-3-oxopropyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid?
The InChIKey is SRJCVIXASCNUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O6S/c1-17-7(12)2-3-18(15,16)11-6-4-5(8(13)14)9-10-6/h4H,2-3H2,1H3,(H,13,14)(H2,9,10,11).
What are the key properties of 3-[(3-methoxy-3-oxopropyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid?
3-[(3-methoxy-3-oxopropyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid has a molecular weight of 277.26 g/mol, XLogP of -0.59, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxy-3-oxopropyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 64526321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).