3-(propylsulfonylamino)-1H-pyrazole-5-carboxylic acid

C7H11N3O4S — CID 64526710

IUPAC3-(propylsulfonylamino)-1H-pyrazole-5-carboxylic acid
SMILESCCCS(=O)(=O)Nc1cc(C(=O)O)[nH]n1
InChIInChI=1S/C7H11N3O4S/c1-2-3-15(13,14)10-6-4-5(7(11)12)8-9-6/h4H,2-3H2,1H3,(H,11,12)(H2,8,9,10)
InChIKeyPZJDJZHXVMFTTC-UHFFFAOYSA-N
MW233.25 g/mol
LogP0.26
Rot. Bonds5

About 3-(propylsulfonylamino)-1H-pyrazole-5-carboxylic acid

3-(propylsulfonylamino)-1H-pyrazole-5-carboxylic acid (PubChem CID 64526710) has the molecular formula C7H11N3O4S and a molecular weight of 233.25 g/mol. Its IUPAC name is 3-(propylsulfonylamino)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(propylsulfonylamino)-1H-pyrazole-5-carboxylic acid
PubChem CID64526710
Molecular FormulaC7H11N3O4S
Molecular Weight233.25 g/mol
Exact Mass233.05
IUPAC Name3-(propylsulfonylamino)-1H-pyrazole-5-carboxylic acid
SMILESCCCS(=O)(=O)Nc1cc(C(=O)O)[nH]n1
InChIInChI=1S/C7H11N3O4S/c1-2-3-15(13,14)10-6-4-5(7(11)12)8-9-6/h4H,2-3H2,1H3,(H,11,12)(H2,8,9,10)
InChIKeyPZJDJZHXVMFTTC-UHFFFAOYSA-N
XLogP0.26
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(propylsulfonylamino)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(propylsulfonylamino)-1H-pyrazole-5-carboxylic acid (CID 64526710) is 3-(propylsulfonylamino)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(propylsulfonylamino)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(propylsulfonylamino)-1H-pyrazole-5-carboxylic acid is CCCS(=O)(=O)Nc1cc(C(=O)O)[nH]n1.
What is the InChIKey of 3-(propylsulfonylamino)-1H-pyrazole-5-carboxylic acid?
The InChIKey is PZJDJZHXVMFTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O4S/c1-2-3-15(13,14)10-6-4-5(7(11)12)8-9-6/h4H,2-3H2,1H3,(H,11,12)(H2,8,9,10).
What are the key properties of 3-(propylsulfonylamino)-1H-pyrazole-5-carboxylic acid?
3-(propylsulfonylamino)-1H-pyrazole-5-carboxylic acid has a molecular weight of 233.25 g/mol, XLogP of 0.26, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propylsulfonylamino)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 64526710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).