5-[(3R)-1-(2-methylsulfonylethyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide

C12H20N4O3S — CID 97217786

IUPAC5-[(3R)-1-(2-methylsulfonylethyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESCS(=O)(=O)CCN1CCC[C@@H](c2cc(C(N)=O)n[nH]2)C1
InChIInChI=1S/C12H20N4O3S/c1-20(18,19)6-5-16-4-2-3-9(8-16)10-7-11(12(13)17)15-14-10/h7,9H,2-6,8H2,1H3,(H2,13,17)(H,14,15)/t9-/m1/s1
InChIKeyRFKCGGDLIGSGBI-SECBINFHSA-N
MW300.38 g/mol
LogP-0.27
Rot. Bonds5

About 5-[(3R)-1-(2-methylsulfonylethyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide

5-[(3R)-1-(2-methylsulfonylethyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide (PubChem CID 97217786) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is 5-[(3R)-1-(2-methylsulfonylethyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3R)-1-(2-methylsulfonylethyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
PubChem CID97217786
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC Name5-[(3R)-1-(2-methylsulfonylethyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESCS(=O)(=O)CCN1CCC[C@@H](c2cc(C(N)=O)n[nH]2)C1
InChIInChI=1S/C12H20N4O3S/c1-20(18,19)6-5-16-4-2-3-9(8-16)10-7-11(12(13)17)15-14-10/h7,9H,2-6,8H2,1H3,(H2,13,17)(H,14,15)/t9-/m1/s1
InChIKeyRFKCGGDLIGSGBI-SECBINFHSA-N
XLogP-0.27
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-1-(2-methylsulfonylethyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[(3R)-1-(2-methylsulfonylethyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide (CID 97217786) is 5-[(3R)-1-(2-methylsulfonylethyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[(3R)-1-(2-methylsulfonylethyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[(3R)-1-(2-methylsulfonylethyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide is CS(=O)(=O)CCN1CCC[C@@H](c2cc(C(N)=O)n[nH]2)C1.
What is the InChIKey of 5-[(3R)-1-(2-methylsulfonylethyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is RFKCGGDLIGSGBI-SECBINFHSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-20(18,19)6-5-16-4-2-3-9(8-16)10-7-11(12(13)17)15-14-10/h7,9H,2-6,8H2,1H3,(H2,13,17)(H,14,15)/t9-/m1/s1.
What are the key properties of 5-[(3R)-1-(2-methylsulfonylethyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide?
5-[(3R)-1-(2-methylsulfonylethyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 300.38 g/mol, XLogP of -0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-1-(2-methylsulfonylethyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 97217786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).