5-[1-(benzenesulfonyl)-4-methylpiperidin-4-yl]-1H-pyrazole-4-carboxamide

C16H20N4O3S — CID 95848734

IUPAC5-[1-(benzenesulfonyl)-4-methylpiperidin-4-yl]-1H-pyrazole-4-carboxamide
SMILESCC1(c2[nH]ncc2C(N)=O)CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C16H20N4O3S/c1-16(14-13(15(17)21)11-18-19-14)7-9-20(10-8-16)24(22,23)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H2,17,21)(H,18,19)
InChIKeyKGXUWDUKTRHJRI-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.25
Rot. Bonds4

About 5-[1-(benzenesulfonyl)-4-methylpiperidin-4-yl]-1H-pyrazole-4-carboxamide

5-[1-(benzenesulfonyl)-4-methylpiperidin-4-yl]-1H-pyrazole-4-carboxamide (PubChem CID 95848734) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is 5-[1-(benzenesulfonyl)-4-methylpiperidin-4-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[1-(benzenesulfonyl)-4-methylpiperidin-4-yl]-1H-pyrazole-4-carboxamide
PubChem CID95848734
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name5-[1-(benzenesulfonyl)-4-methylpiperidin-4-yl]-1H-pyrazole-4-carboxamide
SMILESCC1(c2[nH]ncc2C(N)=O)CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C16H20N4O3S/c1-16(14-13(15(17)21)11-18-19-14)7-9-20(10-8-16)24(22,23)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H2,17,21)(H,18,19)
InChIKeyKGXUWDUKTRHJRI-UHFFFAOYSA-N
XLogP1.25
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(benzenesulfonyl)-4-methylpiperidin-4-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[1-(benzenesulfonyl)-4-methylpiperidin-4-yl]-1H-pyrazole-4-carboxamide (CID 95848734) is 5-[1-(benzenesulfonyl)-4-methylpiperidin-4-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[1-(benzenesulfonyl)-4-methylpiperidin-4-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[1-(benzenesulfonyl)-4-methylpiperidin-4-yl]-1H-pyrazole-4-carboxamide is CC1(c2[nH]ncc2C(N)=O)CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 5-[1-(benzenesulfonyl)-4-methylpiperidin-4-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is KGXUWDUKTRHJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-16(14-13(15(17)21)11-18-19-14)7-9-20(10-8-16)24(22,23)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H2,17,21)(H,18,19).
What are the key properties of 5-[1-(benzenesulfonyl)-4-methylpiperidin-4-yl]-1H-pyrazole-4-carboxamide?
5-[1-(benzenesulfonyl)-4-methylpiperidin-4-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(benzenesulfonyl)-4-methylpiperidin-4-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 95848734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).