1-(1-phenylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide

C15H18N4O3S — CID 56820194

IUPAC1-(1-phenylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide
SMILESNC(=O)C1CCN(S(=O)(=O)c2cnn(-c3ccccc3)c2)CC1
InChIInChI=1S/C15H18N4O3S/c16-15(20)12-6-8-18(9-7-12)23(21,22)14-10-17-19(11-14)13-4-2-1-3-5-13/h1-5,10-12H,6-9H2,(H2,16,20)
InChIKeyUVKLVGQHGGOQLG-UHFFFAOYSA-N
MW334.40 g/mol
LogP0.76
Rot. Bonds4

About 1-(1-phenylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide

1-(1-phenylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide (PubChem CID 56820194) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is 1-(1-phenylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-phenylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide
PubChem CID56820194
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Name1-(1-phenylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide
SMILESNC(=O)C1CCN(S(=O)(=O)c2cnn(-c3ccccc3)c2)CC1
InChIInChI=1S/C15H18N4O3S/c16-15(20)12-6-8-18(9-7-12)23(21,22)14-10-17-19(11-14)13-4-2-1-3-5-13/h1-5,10-12H,6-9H2,(H2,16,20)
InChIKeyUVKLVGQHGGOQLG-UHFFFAOYSA-N
XLogP0.76
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of 1-(1-phenylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide (CID 56820194) is 1-(1-phenylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(1-phenylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for 1-(1-phenylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide is NC(=O)C1CCN(S(=O)(=O)c2cnn(-c3ccccc3)c2)CC1.
What is the InChIKey of 1-(1-phenylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide?
The InChIKey is UVKLVGQHGGOQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c16-15(20)12-6-8-18(9-7-12)23(21,22)14-10-17-19(11-14)13-4-2-1-3-5-13/h1-5,10-12H,6-9H2,(H2,16,20).
What are the key properties of 1-(1-phenylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide?
1-(1-phenylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide has a molecular weight of 334.40 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 56820194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).