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

C11H16N4O5S — CID 62033124

IUPAC3-(4-carbamoylpiperidin-1-yl)sulfonyl-5-methyl-1H-pyrazole-4-carboxylic acid
SMILESCc1[nH]nc(S(=O)(=O)N2CCC(C(N)=O)CC2)c1C(=O)O
InChIInChI=1S/C11H16N4O5S/c1-6-8(11(17)18)10(14-13-6)21(19,20)15-4-2-7(3-5-15)9(12)16/h7H,2-5H2,1H3,(H2,12,16)(H,13,14)(H,17,18)
InChIKeyOTZJGLFWTWSLQO-UHFFFAOYSA-N
MW316.34 g/mol
LogP-0.70
Rot. Bonds4

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

3-(4-carbamoylpiperidin-1-yl)sulfonyl-5-methyl-1H-pyrazole-4-carboxylic acid (PubChem CID 62033124) has the molecular formula C11H16N4O5S and a molecular weight of 316.34 g/mol. Its IUPAC name is 3-(4-carbamoylpiperidin-1-yl)sulfonyl-5-methyl-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(4-carbamoylpiperidin-1-yl)sulfonyl-5-methyl-1H-pyrazole-4-carboxylic acid
PubChem CID62033124
Molecular FormulaC11H16N4O5S
Molecular Weight316.34 g/mol
Exact Mass316.08
IUPAC Name3-(4-carbamoylpiperidin-1-yl)sulfonyl-5-methyl-1H-pyrazole-4-carboxylic acid
SMILESCc1[nH]nc(S(=O)(=O)N2CCC(C(N)=O)CC2)c1C(=O)O
InChIInChI=1S/C11H16N4O5S/c1-6-8(11(17)18)10(14-13-6)21(19,20)15-4-2-7(3-5-15)9(12)16/h7H,2-5H2,1H3,(H2,12,16)(H,13,14)(H,17,18)
InChIKeyOTZJGLFWTWSLQO-UHFFFAOYSA-N
XLogP-0.70
TPSA146.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-carbamoylpiperidin-1-yl)sulfonyl-5-methyl-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 3-(4-carbamoylpiperidin-1-yl)sulfonyl-5-methyl-1H-pyrazole-4-carboxylic acid (CID 62033124) is 3-(4-carbamoylpiperidin-1-yl)sulfonyl-5-methyl-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 3-(4-carbamoylpiperidin-1-yl)sulfonyl-5-methyl-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 3-(4-carbamoylpiperidin-1-yl)sulfonyl-5-methyl-1H-pyrazole-4-carboxylic acid is Cc1[nH]nc(S(=O)(=O)N2CCC(C(N)=O)CC2)c1C(=O)O.
What is the InChIKey of 3-(4-carbamoylpiperidin-1-yl)sulfonyl-5-methyl-1H-pyrazole-4-carboxylic acid?
The InChIKey is OTZJGLFWTWSLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O5S/c1-6-8(11(17)18)10(14-13-6)21(19,20)15-4-2-7(3-5-15)9(12)16/h7H,2-5H2,1H3,(H2,12,16)(H,13,14)(H,17,18).
What are the key properties of 3-(4-carbamoylpiperidin-1-yl)sulfonyl-5-methyl-1H-pyrazole-4-carboxylic acid?
3-(4-carbamoylpiperidin-1-yl)sulfonyl-5-methyl-1H-pyrazole-4-carboxylic acid has a molecular weight of 316.34 g/mol, XLogP of -0.70, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-carbamoylpiperidin-1-yl)sulfonyl-5-methyl-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 62033124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).