4-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid

C11H17N3O5S — CID 107216292

IUPAC4-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid
SMILESCc1[nH]nc(C(=O)O)c1S(=O)(=O)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C11H17N3O5S/c1-6-10(9(11(16)17)13-12-6)20(18,19)14-7-4-2-3-5-8(7)15/h7-8,14-15H,2-5H2,1H3,(H,12,13)(H,16,17)/t7-,8-/m1/s1
InChIKeyPFWTYJHPIVNYTF-HTQZYQBOSA-N
MW303.34 g/mol
LogP-0.00
Rot. Bonds4

About 4-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid

4-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid (PubChem CID 107216292) has the molecular formula C11H17N3O5S and a molecular weight of 303.34 g/mol. Its IUPAC name is 4-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid
PubChem CID107216292
Molecular FormulaC11H17N3O5S
Molecular Weight303.34 g/mol
Exact Mass303.09
IUPAC Name4-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid
SMILESCc1[nH]nc(C(=O)O)c1S(=O)(=O)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C11H17N3O5S/c1-6-10(9(11(16)17)13-12-6)20(18,19)14-7-4-2-3-5-8(7)15/h7-8,14-15H,2-5H2,1H3,(H,12,13)(H,16,17)/t7-,8-/m1/s1
InChIKeyPFWTYJHPIVNYTF-HTQZYQBOSA-N
XLogP-0.00
TPSA132.38 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 5-0.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 4-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid (CID 107216292) is 4-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 4-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 4-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid is Cc1[nH]nc(C(=O)O)c1S(=O)(=O)N[C@@H]1CCCC[C@H]1O.
What is the InChIKey of 4-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid?
The InChIKey is PFWTYJHPIVNYTF-HTQZYQBOSA-N. The full InChI is InChI=1S/C11H17N3O5S/c1-6-10(9(11(16)17)13-12-6)20(18,19)14-7-4-2-3-5-8(7)15/h7-8,14-15H,2-5H2,1H3,(H,12,13)(H,16,17)/t7-,8-/m1/s1.
What are the key properties of 4-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid?
4-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid has a molecular weight of 303.34 g/mol, XLogP of -0.00, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 107216292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).