5-methyl-3-morpholin-4-ylsulfonyl-1H-pyrazole-4-carboxylic acid

C9H13N3O5S — CID 62033667

IUPAC5-methyl-3-morpholin-4-ylsulfonyl-1H-pyrazole-4-carboxylic acid
SMILESCc1[nH]nc(S(=O)(=O)N2CCOCC2)c1C(=O)O
InChIInChI=1S/C9H13N3O5S/c1-6-7(9(13)14)8(11-10-6)18(15,16)12-2-4-17-5-3-12/h2-5H2,1H3,(H,10,11)(H,13,14)
InChIKeyPDEPPZACCJKPOR-UHFFFAOYSA-N
MW275.29 g/mol
LogP-0.56
Rot. Bonds3

About 5-methyl-3-morpholin-4-ylsulfonyl-1H-pyrazole-4-carboxylic acid

5-methyl-3-morpholin-4-ylsulfonyl-1H-pyrazole-4-carboxylic acid (PubChem CID 62033667) has the molecular formula C9H13N3O5S and a molecular weight of 275.29 g/mol. Its IUPAC name is 5-methyl-3-morpholin-4-ylsulfonyl-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-3-morpholin-4-ylsulfonyl-1H-pyrazole-4-carboxylic acid
PubChem CID62033667
Molecular FormulaC9H13N3O5S
Molecular Weight275.29 g/mol
Exact Mass275.06
IUPAC Name5-methyl-3-morpholin-4-ylsulfonyl-1H-pyrazole-4-carboxylic acid
SMILESCc1[nH]nc(S(=O)(=O)N2CCOCC2)c1C(=O)O
InChIInChI=1S/C9H13N3O5S/c1-6-7(9(13)14)8(11-10-6)18(15,16)12-2-4-17-5-3-12/h2-5H2,1H3,(H,10,11)(H,13,14)
InChIKeyPDEPPZACCJKPOR-UHFFFAOYSA-N
XLogP-0.56
TPSA112.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-morpholin-4-ylsulfonyl-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-methyl-3-morpholin-4-ylsulfonyl-1H-pyrazole-4-carboxylic acid (CID 62033667) is 5-methyl-3-morpholin-4-ylsulfonyl-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-3-morpholin-4-ylsulfonyl-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-3-morpholin-4-ylsulfonyl-1H-pyrazole-4-carboxylic acid is Cc1[nH]nc(S(=O)(=O)N2CCOCC2)c1C(=O)O.
What is the InChIKey of 5-methyl-3-morpholin-4-ylsulfonyl-1H-pyrazole-4-carboxylic acid?
The InChIKey is PDEPPZACCJKPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O5S/c1-6-7(9(13)14)8(11-10-6)18(15,16)12-2-4-17-5-3-12/h2-5H2,1H3,(H,10,11)(H,13,14).
What are the key properties of 5-methyl-3-morpholin-4-ylsulfonyl-1H-pyrazole-4-carboxylic acid?
5-methyl-3-morpholin-4-ylsulfonyl-1H-pyrazole-4-carboxylic acid has a molecular weight of 275.29 g/mol, XLogP of -0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-morpholin-4-ylsulfonyl-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 62033667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).