1-methyl-5-(pyrrolidin-1-ylsulfonylamino)pyrazole-4-carboxylic acid

C9H14N4O4S — CID 28784434

IUPAC1-methyl-5-(pyrrolidin-1-ylsulfonylamino)pyrazole-4-carboxylic acid
SMILESCn1ncc(C(=O)O)c1NS(=O)(=O)N1CCCC1
InChIInChI=1S/C9H14N4O4S/c1-12-8(7(6-10-12)9(14)15)11-18(16,17)13-4-2-3-5-13/h6,11H,2-5H2,1H3,(H,14,15)
InChIKeyGHITZKHNIZSFIY-UHFFFAOYSA-N
MW274.30 g/mol
LogP-0.13
Rot. Bonds4

About 1-methyl-5-(pyrrolidin-1-ylsulfonylamino)pyrazole-4-carboxylic acid

1-methyl-5-(pyrrolidin-1-ylsulfonylamino)pyrazole-4-carboxylic acid (PubChem CID 28784434) has the molecular formula C9H14N4O4S and a molecular weight of 274.30 g/mol. Its IUPAC name is 1-methyl-5-(pyrrolidin-1-ylsulfonylamino)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-(pyrrolidin-1-ylsulfonylamino)pyrazole-4-carboxylic acid
PubChem CID28784434
Molecular FormulaC9H14N4O4S
Molecular Weight274.30 g/mol
Exact Mass274.07
IUPAC Name1-methyl-5-(pyrrolidin-1-ylsulfonylamino)pyrazole-4-carboxylic acid
SMILESCn1ncc(C(=O)O)c1NS(=O)(=O)N1CCCC1
InChIInChI=1S/C9H14N4O4S/c1-12-8(7(6-10-12)9(14)15)11-18(16,17)13-4-2-3-5-13/h6,11H,2-5H2,1H3,(H,14,15)
InChIKeyGHITZKHNIZSFIY-UHFFFAOYSA-N
XLogP-0.13
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(tert-butylsulfamoylamino)-1-methylpyrazole-4-carboxylic acid
CID 114805357
5-(ethylsulfamoylamino)-1-methylpyrazole-4-carboxylic acid
CID 114805356
1-methyl-5-[(2-methylpyrazol-3-yl)sulfonylamino]pyrazole-4-carboxylic acid
CID 113443879
5-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid
CID 106465673
5-[(4-methoxyphenyl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid
CID 21251119
5-[(4-ethylphenyl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid
CID 43361454
1-methyl-5-(propanoylamino)pyrazole-4-carboxylic acid
CID 110477561
5-[(2-aminoacetyl)amino]-1-methylpyrazole-4-carboxylic acid
CID 110477668
2-(azepan-1-ylsulfonylamino)-5-iodobenzoic acid
CID 63111221
2-(piperidin-1-ylsulfonylamino)pyridine-3-carboxylic acid
CID 63654456
5-(2-hydroxypropylamino)-1-methylpyrazole-4-carboxylic acid
CID 69159232
5-(2-methoxyethylamino)-1-methylpyrazole-4-carboxylic acid
CID 142758448

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(pyrrolidin-1-ylsulfonylamino)pyrazole-4-carboxylic acid?
The IUPAC name of 1-methyl-5-(pyrrolidin-1-ylsulfonylamino)pyrazole-4-carboxylic acid (CID 28784434) is 1-methyl-5-(pyrrolidin-1-ylsulfonylamino)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-methyl-5-(pyrrolidin-1-ylsulfonylamino)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-methyl-5-(pyrrolidin-1-ylsulfonylamino)pyrazole-4-carboxylic acid is Cn1ncc(C(=O)O)c1NS(=O)(=O)N1CCCC1.
What is the InChIKey of 1-methyl-5-(pyrrolidin-1-ylsulfonylamino)pyrazole-4-carboxylic acid?
The InChIKey is GHITZKHNIZSFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O4S/c1-12-8(7(6-10-12)9(14)15)11-18(16,17)13-4-2-3-5-13/h6,11H,2-5H2,1H3,(H,14,15).
What are the key properties of 1-methyl-5-(pyrrolidin-1-ylsulfonylamino)pyrazole-4-carboxylic acid?
1-methyl-5-(pyrrolidin-1-ylsulfonylamino)pyrazole-4-carboxylic acid has a molecular weight of 274.30 g/mol, XLogP of -0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(pyrrolidin-1-ylsulfonylamino)pyrazole-4-carboxylic acid is sourced from PubChem (CID 28784434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).