1-(1H-pyrazol-4-ylsulfonyl)piperidine-3-carboxamide

C9H14N4O3S — CID 47267285

IUPAC1-(1H-pyrazol-4-ylsulfonyl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(S(=O)(=O)c2cn[nH]c2)C1
InChIInChI=1S/C9H14N4O3S/c10-9(14)7-2-1-3-13(6-7)17(15,16)8-4-11-12-5-8/h4-5,7H,1-3,6H2,(H2,10,14)(H,11,12)
InChIKeyBICBSICJNWWYFG-UHFFFAOYSA-N
MW258.30 g/mol
LogP-0.70
Rot. Bonds3

About 1-(1H-pyrazol-4-ylsulfonyl)piperidine-3-carboxamide

1-(1H-pyrazol-4-ylsulfonyl)piperidine-3-carboxamide (PubChem CID 47267285) has the molecular formula C9H14N4O3S and a molecular weight of 258.30 g/mol. Its IUPAC name is 1-(1H-pyrazol-4-ylsulfonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1H-pyrazol-4-ylsulfonyl)piperidine-3-carboxamide
PubChem CID47267285
Molecular FormulaC9H14N4O3S
Molecular Weight258.30 g/mol
Exact Mass258.08
IUPAC Name1-(1H-pyrazol-4-ylsulfonyl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(S(=O)(=O)c2cn[nH]c2)C1
InChIInChI=1S/C9H14N4O3S/c10-9(14)7-2-1-3-13(6-7)17(15,16)8-4-11-12-5-8/h4-5,7H,1-3,6H2,(H2,10,14)(H,11,12)
InChIKeyBICBSICJNWWYFG-UHFFFAOYSA-N
XLogP-0.70
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-4-ylsulfonyl)piperidine-3-carboxamide?
The IUPAC name of 1-(1H-pyrazol-4-ylsulfonyl)piperidine-3-carboxamide (CID 47267285) is 1-(1H-pyrazol-4-ylsulfonyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(1H-pyrazol-4-ylsulfonyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(1H-pyrazol-4-ylsulfonyl)piperidine-3-carboxamide is NC(=O)C1CCCN(S(=O)(=O)c2cn[nH]c2)C1.
What is the InChIKey of 1-(1H-pyrazol-4-ylsulfonyl)piperidine-3-carboxamide?
The InChIKey is BICBSICJNWWYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3S/c10-9(14)7-2-1-3-13(6-7)17(15,16)8-4-11-12-5-8/h4-5,7H,1-3,6H2,(H2,10,14)(H,11,12).
What are the key properties of 1-(1H-pyrazol-4-ylsulfonyl)piperidine-3-carboxamide?
1-(1H-pyrazol-4-ylsulfonyl)piperidine-3-carboxamide has a molecular weight of 258.30 g/mol, XLogP of -0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-4-ylsulfonyl)piperidine-3-carboxamide is sourced from PubChem (CID 47267285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).