1-(1-phenylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide

C15H18N4O3S — CID 56820822

IUPAC1-(1-phenylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
SMILESNC(=O)C1CCCN(S(=O)(=O)c2cnn(-c3ccccc3)c2)C1
InChIInChI=1S/C15H18N4O3S/c16-15(20)12-5-4-8-18(10-12)23(21,22)14-9-17-19(11-14)13-6-2-1-3-7-13/h1-3,6-7,9,11-12H,4-5,8,10H2,(H2,16,20)
InChIKeyGUDHKOADUCWOPI-UHFFFAOYSA-N
MW334.40 g/mol
LogP0.76
Rot. Bonds4

About 1-(1-phenylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide

1-(1-phenylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide (PubChem CID 56820822) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is 1-(1-phenylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1-phenylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
PubChem CID56820822
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Name1-(1-phenylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
SMILESNC(=O)C1CCCN(S(=O)(=O)c2cnn(-c3ccccc3)c2)C1
InChIInChI=1S/C15H18N4O3S/c16-15(20)12-5-4-8-18(10-12)23(21,22)14-9-17-19(11-14)13-6-2-1-3-7-13/h1-3,6-7,9,11-12H,4-5,8,10H2,(H2,16,20)
InChIKeyGUDHKOADUCWOPI-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-3-carboxamide?
The IUPAC name of 1-(1-phenylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide (CID 56820822) is 1-(1-phenylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(1-phenylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for 1-(1-phenylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide is NC(=O)C1CCCN(S(=O)(=O)c2cnn(-c3ccccc3)c2)C1.
What is the InChIKey of 1-(1-phenylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide?
The InChIKey is GUDHKOADUCWOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c16-15(20)12-5-4-8-18(10-12)23(21,22)14-9-17-19(11-14)13-6-2-1-3-7-13/h1-3,6-7,9,11-12H,4-5,8,10H2,(H2,16,20).
What are the key properties of 1-(1-phenylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide?
1-(1-phenylpyrazol-4-yl)sulfonylpiperidine-3-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-3-carboxamide is sourced from PubChem (CID 56820822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).