5-(4-aminopiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid

C9H14N4O4S — CID 61402961

IUPAC5-(4-aminopiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid
SMILESNC1CCN(S(=O)(=O)c2[nH]ncc2C(=O)O)CC1
InChIInChI=1S/C9H14N4O4S/c10-6-1-3-13(4-2-6)18(16,17)8-7(9(14)15)5-11-12-8/h5-6H,1-4,10H2,(H,11,12)(H,14,15)
InChIKeyOBIMCIHYVJCEMY-UHFFFAOYSA-N
MW274.30 g/mol
LogP-0.78
Rot. Bonds3

About 5-(4-aminopiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid

5-(4-aminopiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid (PubChem CID 61402961) has the molecular formula C9H14N4O4S and a molecular weight of 274.30 g/mol. Its IUPAC name is 5-(4-aminopiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(4-aminopiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid
PubChem CID61402961
Molecular FormulaC9H14N4O4S
Molecular Weight274.30 g/mol
Exact Mass274.07
IUPAC Name5-(4-aminopiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid
SMILESNC1CCN(S(=O)(=O)c2[nH]ncc2C(=O)O)CC1
InChIInChI=1S/C9H14N4O4S/c10-6-1-3-13(4-2-6)18(16,17)8-7(9(14)15)5-11-12-8/h5-6H,1-4,10H2,(H,11,12)(H,14,15)
InChIKeyOBIMCIHYVJCEMY-UHFFFAOYSA-N
XLogP-0.78
TPSA129.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylic acid
CID 54934357
5-(8-azaspiro[4.5]decan-8-ylsulfonyl)-1H-pyrazole-4-carboxylic acid
CID 63158855
5-(1,4-oxazepan-4-ylsulfonyl)-1H-pyrazole-4-carboxylic acid
CID 62988685
ethyl 5-(4-hydroxypiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylate
CID 60910759
5-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-1H-pyrazole-4-carboxylic acid
CID 114408294
5-[(5-oxo-1,4-diazepan-1-yl)sulfonyl]-1H-pyrazole-4-carboxylic acid
CID 63002352
5-(4-methyl-3-oxopiperazin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid
CID 64680693
ethyl 5-[4-(ethylaminomethyl)piperidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylate;hydrochloride
CID 119990366
5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid
CID 71794413
5-(3-acetamidopiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid
CID 60951312
5-[2-(methylcarbamoyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylic acid
CID 60950937
ethyl 5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylate
CID 63165064

Frequently Asked Questions

What is the IUPAC name of 5-(4-aminopiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-(4-aminopiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid (CID 61402961) is 5-(4-aminopiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(4-aminopiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-(4-aminopiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid is NC1CCN(S(=O)(=O)c2[nH]ncc2C(=O)O)CC1.
What is the InChIKey of 5-(4-aminopiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid?
The InChIKey is OBIMCIHYVJCEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O4S/c10-6-1-3-13(4-2-6)18(16,17)8-7(9(14)15)5-11-12-8/h5-6H,1-4,10H2,(H,11,12)(H,14,15).
What are the key properties of 5-(4-aminopiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid?
5-(4-aminopiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid has a molecular weight of 274.30 g/mol, XLogP of -0.78, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminopiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 61402961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).