4-[(1,4-dimethylpyrazol-5-yl)sulfonylamino]cyclohexane-1-carboxylic acid

C12H19N3O4S — CID 120968707

IUPAC4-[(1,4-dimethylpyrazol-5-yl)sulfonylamino]cyclohexane-1-carboxylic acid
SMILESCc1cnn(C)c1S(=O)(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C12H19N3O4S/c1-8-7-13-15(2)11(8)20(18,19)14-10-5-3-9(4-6-10)12(16)17/h7,9-10,14H,3-6H2,1-2H3,(H,16,17)
InChIKeySAZFYRPGWPJKRO-UHFFFAOYSA-N
MW301.37 g/mol
LogP0.65
Rot. Bonds4

About 4-[(1,4-dimethylpyrazol-5-yl)sulfonylamino]cyclohexane-1-carboxylic acid

4-[(1,4-dimethylpyrazol-5-yl)sulfonylamino]cyclohexane-1-carboxylic acid (PubChem CID 120968707) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is 4-[(1,4-dimethylpyrazol-5-yl)sulfonylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(1,4-dimethylpyrazol-5-yl)sulfonylamino]cyclohexane-1-carboxylic acid
PubChem CID120968707
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Name4-[(1,4-dimethylpyrazol-5-yl)sulfonylamino]cyclohexane-1-carboxylic acid
SMILESCc1cnn(C)c1S(=O)(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C12H19N3O4S/c1-8-7-13-15(2)11(8)20(18,19)14-10-5-3-9(4-6-10)12(16)17/h7,9-10,14H,3-6H2,1-2H3,(H,16,17)
InChIKeySAZFYRPGWPJKRO-UHFFFAOYSA-N
XLogP0.65
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1,4-dimethylpyrazol-5-yl)sulfonylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(1,4-dimethylpyrazol-5-yl)sulfonylamino]cyclohexane-1-carboxylic acid (CID 120968707) is 4-[(1,4-dimethylpyrazol-5-yl)sulfonylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(1,4-dimethylpyrazol-5-yl)sulfonylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(1,4-dimethylpyrazol-5-yl)sulfonylamino]cyclohexane-1-carboxylic acid is Cc1cnn(C)c1S(=O)(=O)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[(1,4-dimethylpyrazol-5-yl)sulfonylamino]cyclohexane-1-carboxylic acid?
The InChIKey is SAZFYRPGWPJKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-8-7-13-15(2)11(8)20(18,19)14-10-5-3-9(4-6-10)12(16)17/h7,9-10,14H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 4-[(1,4-dimethylpyrazol-5-yl)sulfonylamino]cyclohexane-1-carboxylic acid?
4-[(1,4-dimethylpyrazol-5-yl)sulfonylamino]cyclohexane-1-carboxylic acid has a molecular weight of 301.37 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,4-dimethylpyrazol-5-yl)sulfonylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120968707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).