3-(1H-pyrazol-4-ylsulfonylamino)cyclohexane-1-carboxylic acid

C10H15N3O4S — CID 63044386

IUPAC3-(1H-pyrazol-4-ylsulfonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(NS(=O)(=O)c2cn[nH]c2)C1
InChIInChI=1S/C10H15N3O4S/c14-10(15)7-2-1-3-8(4-7)13-18(16,17)9-5-11-12-6-9/h5-8,13H,1-4H2,(H,11,12)(H,14,15)
InChIKeyXNABBBRQCDEADJ-UHFFFAOYSA-N
MW273.31 g/mol
LogP0.33
Rot. Bonds4

About 3-(1H-pyrazol-4-ylsulfonylamino)cyclohexane-1-carboxylic acid

3-(1H-pyrazol-4-ylsulfonylamino)cyclohexane-1-carboxylic acid (PubChem CID 63044386) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is 3-(1H-pyrazol-4-ylsulfonylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-(1H-pyrazol-4-ylsulfonylamino)cyclohexane-1-carboxylic acid
PubChem CID63044386
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Name3-(1H-pyrazol-4-ylsulfonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(NS(=O)(=O)c2cn[nH]c2)C1
InChIInChI=1S/C10H15N3O4S/c14-10(15)7-2-1-3-8(4-7)13-18(16,17)9-5-11-12-6-9/h5-8,13H,1-4H2,(H,11,12)(H,14,15)
InChIKeyXNABBBRQCDEADJ-UHFFFAOYSA-N
XLogP0.33
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrazol-4-ylsulfonylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 3-(1H-pyrazol-4-ylsulfonylamino)cyclohexane-1-carboxylic acid (CID 63044386) is 3-(1H-pyrazol-4-ylsulfonylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-(1H-pyrazol-4-ylsulfonylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-(1H-pyrazol-4-ylsulfonylamino)cyclohexane-1-carboxylic acid is O=C(O)C1CCCC(NS(=O)(=O)c2cn[nH]c2)C1.
What is the InChIKey of 3-(1H-pyrazol-4-ylsulfonylamino)cyclohexane-1-carboxylic acid?
The InChIKey is XNABBBRQCDEADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S/c14-10(15)7-2-1-3-8(4-7)13-18(16,17)9-5-11-12-6-9/h5-8,13H,1-4H2,(H,11,12)(H,14,15).
What are the key properties of 3-(1H-pyrazol-4-ylsulfonylamino)cyclohexane-1-carboxylic acid?
3-(1H-pyrazol-4-ylsulfonylamino)cyclohexane-1-carboxylic acid has a molecular weight of 273.31 g/mol, XLogP of 0.33, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrazol-4-ylsulfonylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63044386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).