N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide

C15H26N4O3S — CID 47030010

IUPACN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NC(C)c2cnn(C)c2C)CC1
InChIInChI=1S/C15H26N4O3S/c1-5-23(21,22)19-8-6-13(7-9-19)15(20)17-11(2)14-10-16-18(4)12(14)3/h10-11,13H,5-9H2,1-4H3,(H,17,20)
InChIKeyDBROHHWFFXVAKK-UHFFFAOYSA-N
MW342.47 g/mol
LogP0.97
Rot. Bonds5

About N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide

N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide (PubChem CID 47030010) has the molecular formula C15H26N4O3S and a molecular weight of 342.47 g/mol. Its IUPAC name is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide
PubChem CID47030010
Molecular FormulaC15H26N4O3S
Molecular Weight342.47 g/mol
Exact Mass342.17
IUPAC NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NC(C)c2cnn(C)c2C)CC1
InChIInChI=1S/C15H26N4O3S/c1-5-23(21,22)19-8-6-13(7-9-19)15(20)17-11(2)14-10-16-18(4)12(14)3/h10-11,13H,5-9H2,1-4H3,(H,17,20)
InChIKeyDBROHHWFFXVAKK-UHFFFAOYSA-N
XLogP0.97
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide (CID 47030010) is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)NC(C)c2cnn(C)c2C)CC1.
What is the InChIKey of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide?
The InChIKey is DBROHHWFFXVAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3S/c1-5-23(21,22)19-8-6-13(7-9-19)15(20)17-11(2)14-10-16-18(4)12(14)3/h10-11,13H,5-9H2,1-4H3,(H,17,20).
What are the key properties of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide?
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide has a molecular weight of 342.47 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 47030010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).