1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-3-sulfonamide

C12H20N4O3S — CID 64867620

IUPAC1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-3-sulfonamide
SMILESCCn1nc(C)cc1C(=O)N1CCCC(S(N)(=O)=O)C1
InChIInChI=1S/C12H20N4O3S/c1-3-16-11(7-9(2)14-16)12(17)15-6-4-5-10(8-15)20(13,18)19/h7,10H,3-6,8H2,1-2H3,(H2,13,18,19)
InChIKeySMQZWLDSNVGJMX-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.10
Rot. Bonds3

About 1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-3-sulfonamide

1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-3-sulfonamide (PubChem CID 64867620) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is 1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-3-sulfonamide.

Molecular Properties

Compound Name1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-3-sulfonamide
PubChem CID64867620
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC Name1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-3-sulfonamide
SMILESCCn1nc(C)cc1C(=O)N1CCCC(S(N)(=O)=O)C1
InChIInChI=1S/C12H20N4O3S/c1-3-16-11(7-9(2)14-16)12(17)15-6-4-5-10(8-15)20(13,18)19/h7,10H,3-6,8H2,1-2H3,(H2,13,18,19)
InChIKeySMQZWLDSNVGJMX-UHFFFAOYSA-N
XLogP0.10
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-3-sulfonamide?
The IUPAC name of 1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-3-sulfonamide (CID 64867620) is 1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-3-sulfonamide.
What is the SMILES notation for 1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-3-sulfonamide?
The canonical SMILES for 1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-3-sulfonamide is CCn1nc(C)cc1C(=O)N1CCCC(S(N)(=O)=O)C1.
What is the InChIKey of 1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-3-sulfonamide?
The InChIKey is SMQZWLDSNVGJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-3-16-11(7-9(2)14-16)12(17)15-6-4-5-10(8-15)20(13,18)19/h7,10H,3-6,8H2,1-2H3,(H2,13,18,19).
What are the key properties of 1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-3-sulfonamide?
1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-3-sulfonamide has a molecular weight of 300.38 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-3-sulfonamide is sourced from PubChem (CID 64867620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).