3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]-N,N-dimethylpiperidine-1-sulfonamide

C17H26N6O2S — CID 110102402

IUPAC3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]-N,N-dimethylpiperidine-1-sulfonamide
SMILESCc1n[nH]c(C)c1-c1cnc(CC2CCCN(S(=O)(=O)N(C)C)C2)cn1
InChIInChI=1S/C17H26N6O2S/c1-12-17(13(2)21-20-12)16-10-18-15(9-19-16)8-14-6-5-7-23(11-14)26(24,25)22(3)4/h9-10,14H,5-8,11H2,1-4H3,(H,20,21)
InChIKeyZBBLPJKKMYADTH-UHFFFAOYSA-N
MW378.50 g/mol
LogP1.54
Rot. Bonds5

About 3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]-N,N-dimethylpiperidine-1-sulfonamide

3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]-N,N-dimethylpiperidine-1-sulfonamide (PubChem CID 110102402) has the molecular formula C17H26N6O2S and a molecular weight of 378.50 g/mol. Its IUPAC name is 3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]-N,N-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]-N,N-dimethylpiperidine-1-sulfonamide
PubChem CID110102402
Molecular FormulaC17H26N6O2S
Molecular Weight378.50 g/mol
Exact Mass378.18
IUPAC Name3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]-N,N-dimethylpiperidine-1-sulfonamide
SMILESCc1n[nH]c(C)c1-c1cnc(CC2CCCN(S(=O)(=O)N(C)C)C2)cn1
InChIInChI=1S/C17H26N6O2S/c1-12-17(13(2)21-20-12)16-10-18-15(9-19-16)8-14-6-5-7-23(11-14)26(24,25)22(3)4/h9-10,14H,5-8,11H2,1-4H3,(H,20,21)
InChIKeyZBBLPJKKMYADTH-UHFFFAOYSA-N
XLogP1.54
TPSA95.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]-N,N-dimethylpiperidine-1-sulfonamide?
The IUPAC name of 3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]-N,N-dimethylpiperidine-1-sulfonamide (CID 110102402) is 3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]-N,N-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for 3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]-N,N-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for 3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]-N,N-dimethylpiperidine-1-sulfonamide is Cc1n[nH]c(C)c1-c1cnc(CC2CCCN(S(=O)(=O)N(C)C)C2)cn1.
What is the InChIKey of 3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]-N,N-dimethylpiperidine-1-sulfonamide?
The InChIKey is ZBBLPJKKMYADTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O2S/c1-12-17(13(2)21-20-12)16-10-18-15(9-19-16)8-14-6-5-7-23(11-14)26(24,25)22(3)4/h9-10,14H,5-8,11H2,1-4H3,(H,20,21).
What are the key properties of 3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]-N,N-dimethylpiperidine-1-sulfonamide?
3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]-N,N-dimethylpiperidine-1-sulfonamide has a molecular weight of 378.50 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]-N,N-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 110102402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).