5-methyl-3-(3-methylmorpholin-4-yl)sulfonyl-1H-pyrazole-4-carboxylic acid

C10H15N3O5S — CID 62034394

IUPAC5-methyl-3-(3-methylmorpholin-4-yl)sulfonyl-1H-pyrazole-4-carboxylic acid
SMILESCc1[nH]nc(S(=O)(=O)N2CCOCC2C)c1C(=O)O
InChIInChI=1S/C10H15N3O5S/c1-6-5-18-4-3-13(6)19(16,17)9-8(10(14)15)7(2)11-12-9/h6H,3-5H2,1-2H3,(H,11,12)(H,14,15)
InChIKeyDPXAWCKUGUJPHC-UHFFFAOYSA-N
MW289.31 g/mol
LogP-0.17
Rot. Bonds3

About 5-methyl-3-(3-methylmorpholin-4-yl)sulfonyl-1H-pyrazole-4-carboxylic acid

5-methyl-3-(3-methylmorpholin-4-yl)sulfonyl-1H-pyrazole-4-carboxylic acid (PubChem CID 62034394) has the molecular formula C10H15N3O5S and a molecular weight of 289.31 g/mol. Its IUPAC name is 5-methyl-3-(3-methylmorpholin-4-yl)sulfonyl-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-3-(3-methylmorpholin-4-yl)sulfonyl-1H-pyrazole-4-carboxylic acid
PubChem CID62034394
Molecular FormulaC10H15N3O5S
Molecular Weight289.31 g/mol
Exact Mass289.07
IUPAC Name5-methyl-3-(3-methylmorpholin-4-yl)sulfonyl-1H-pyrazole-4-carboxylic acid
SMILESCc1[nH]nc(S(=O)(=O)N2CCOCC2C)c1C(=O)O
InChIInChI=1S/C10H15N3O5S/c1-6-5-18-4-3-13(6)19(16,17)9-8(10(14)15)7(2)11-12-9/h6H,3-5H2,1-2H3,(H,11,12)(H,14,15)
InChIKeyDPXAWCKUGUJPHC-UHFFFAOYSA-N
XLogP-0.17
TPSA112.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(3-methylmorpholin-4-yl)sulfonyl-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-methyl-3-(3-methylmorpholin-4-yl)sulfonyl-1H-pyrazole-4-carboxylic acid (CID 62034394) is 5-methyl-3-(3-methylmorpholin-4-yl)sulfonyl-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-3-(3-methylmorpholin-4-yl)sulfonyl-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-3-(3-methylmorpholin-4-yl)sulfonyl-1H-pyrazole-4-carboxylic acid is Cc1[nH]nc(S(=O)(=O)N2CCOCC2C)c1C(=O)O.
What is the InChIKey of 5-methyl-3-(3-methylmorpholin-4-yl)sulfonyl-1H-pyrazole-4-carboxylic acid?
The InChIKey is DPXAWCKUGUJPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O5S/c1-6-5-18-4-3-13(6)19(16,17)9-8(10(14)15)7(2)11-12-9/h6H,3-5H2,1-2H3,(H,11,12)(H,14,15).
What are the key properties of 5-methyl-3-(3-methylmorpholin-4-yl)sulfonyl-1H-pyrazole-4-carboxylic acid?
5-methyl-3-(3-methylmorpholin-4-yl)sulfonyl-1H-pyrazole-4-carboxylic acid has a molecular weight of 289.31 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(3-methylmorpholin-4-yl)sulfonyl-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 62034394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).