1-ethyl-N-[2-(2-methylpiperidin-1-yl)sulfonylethyl]-3-propan-2-ylpyrazole-5-carboxamide

C17H30N4O3S — CID 46969110

IUPAC1-ethyl-N-[2-(2-methylpiperidin-1-yl)sulfonylethyl]-3-propan-2-ylpyrazole-5-carboxamide
SMILESCCn1nc(C(C)C)cc1C(=O)NCCS(=O)(=O)N1CCCCC1C
InChIInChI=1S/C17H30N4O3S/c1-5-20-16(12-15(19-20)13(2)3)17(22)18-9-11-25(23,24)21-10-7-6-8-14(21)4/h12-14H,5-11H2,1-4H3,(H,18,22)
InChIKeyZQFXNWUDXRYDJH-UHFFFAOYSA-N
MW370.52 g/mol
LogP1.96
Rot. Bonds7

About 1-ethyl-N-[2-(2-methylpiperidin-1-yl)sulfonylethyl]-3-propan-2-ylpyrazole-5-carboxamide

1-ethyl-N-[2-(2-methylpiperidin-1-yl)sulfonylethyl]-3-propan-2-ylpyrazole-5-carboxamide (PubChem CID 46969110) has the molecular formula C17H30N4O3S and a molecular weight of 370.52 g/mol. Its IUPAC name is 1-ethyl-N-[2-(2-methylpiperidin-1-yl)sulfonylethyl]-3-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[2-(2-methylpiperidin-1-yl)sulfonylethyl]-3-propan-2-ylpyrazole-5-carboxamide
PubChem CID46969110
Molecular FormulaC17H30N4O3S
Molecular Weight370.52 g/mol
Exact Mass370.20
IUPAC Name1-ethyl-N-[2-(2-methylpiperidin-1-yl)sulfonylethyl]-3-propan-2-ylpyrazole-5-carboxamide
SMILESCCn1nc(C(C)C)cc1C(=O)NCCS(=O)(=O)N1CCCCC1C
InChIInChI=1S/C17H30N4O3S/c1-5-20-16(12-15(19-20)13(2)3)17(22)18-9-11-25(23,24)21-10-7-6-8-14(21)4/h12-14H,5-11H2,1-4H3,(H,18,22)
InChIKeyZQFXNWUDXRYDJH-UHFFFAOYSA-N
XLogP1.96
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[2-(2-methylpiperidin-1-yl)sulfonylethyl]-3-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of 1-ethyl-N-[2-(2-methylpiperidin-1-yl)sulfonylethyl]-3-propan-2-ylpyrazole-5-carboxamide (CID 46969110) is 1-ethyl-N-[2-(2-methylpiperidin-1-yl)sulfonylethyl]-3-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-[2-(2-methylpiperidin-1-yl)sulfonylethyl]-3-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-[2-(2-methylpiperidin-1-yl)sulfonylethyl]-3-propan-2-ylpyrazole-5-carboxamide is CCn1nc(C(C)C)cc1C(=O)NCCS(=O)(=O)N1CCCCC1C.
What is the InChIKey of 1-ethyl-N-[2-(2-methylpiperidin-1-yl)sulfonylethyl]-3-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is ZQFXNWUDXRYDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O3S/c1-5-20-16(12-15(19-20)13(2)3)17(22)18-9-11-25(23,24)21-10-7-6-8-14(21)4/h12-14H,5-11H2,1-4H3,(H,18,22).
What are the key properties of 1-ethyl-N-[2-(2-methylpiperidin-1-yl)sulfonylethyl]-3-propan-2-ylpyrazole-5-carboxamide?
1-ethyl-N-[2-(2-methylpiperidin-1-yl)sulfonylethyl]-3-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 370.52 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[2-(2-methylpiperidin-1-yl)sulfonylethyl]-3-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 46969110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).