N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide

C17H25BrN6O3S — CID 17025125

IUPACN-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
SMILESCCn1ncc(Br)c1CNC(=O)C1CCCN(S(=O)(=O)c2cnn(C)c2C)C1
InChIInChI=1S/C17H25BrN6O3S/c1-4-24-15(14(18)8-21-24)9-19-17(25)13-6-5-7-23(11-13)28(26,27)16-10-20-22(3)12(16)2/h8,10,13H,4-7,9,11H2,1-3H3,(H,19,25)
InChIKeyUXSBOKIAVDTKSV-UHFFFAOYSA-N
MW473.40 g/mol
LogP1.42
Rot. Bonds6

About N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide

N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide (PubChem CID 17025125) has the molecular formula C17H25BrN6O3S and a molecular weight of 473.40 g/mol. Its IUPAC name is N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
PubChem CID17025125
Molecular FormulaC17H25BrN6O3S
Molecular Weight473.40 g/mol
Exact Mass472.09
IUPAC NameN-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
SMILESCCn1ncc(Br)c1CNC(=O)C1CCCN(S(=O)(=O)c2cnn(C)c2C)C1
InChIInChI=1S/C17H25BrN6O3S/c1-4-24-15(14(18)8-21-24)9-19-17(25)13-6-5-7-23(11-13)28(26,27)16-10-20-22(3)12(16)2/h8,10,13H,4-7,9,11H2,1-3H3,(H,19,25)
InChIKeyUXSBOKIAVDTKSV-UHFFFAOYSA-N
XLogP1.42
TPSA102.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.40
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide (CID 17025125) is N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide is CCn1ncc(Br)c1CNC(=O)C1CCCN(S(=O)(=O)c2cnn(C)c2C)C1.
What is the InChIKey of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide?
The InChIKey is UXSBOKIAVDTKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN6O3S/c1-4-24-15(14(18)8-21-24)9-19-17(25)13-6-5-7-23(11-13)28(26,27)16-10-20-22(3)12(16)2/h8,10,13H,4-7,9,11H2,1-3H3,(H,19,25).
What are the key properties of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide?
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide has a molecular weight of 473.40 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 17025125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).