N-methyl-N-[2-oxo-2-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]methanesulfonamide

C15H21N7O3S — CID 122339018

IUPACN-methyl-N-[2-oxo-2-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]methanesulfonamide
SMILESCN(CC(=O)N1CCN(c2ccc(-n3cccn3)nn2)CC1)S(C)(=O)=O
InChIInChI=1S/C15H21N7O3S/c1-19(26(2,24)25)12-15(23)21-10-8-20(9-11-21)13-4-5-14(18-17-13)22-7-3-6-16-22/h3-7H,8-12H2,1-2H3
InChIKeyAAZRVLWEZFMBLA-UHFFFAOYSA-N
MW379.45 g/mol
LogP-0.80
Rot. Bonds5

About N-methyl-N-[2-oxo-2-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]methanesulfonamide

N-methyl-N-[2-oxo-2-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]methanesulfonamide (PubChem CID 122339018) has the molecular formula C15H21N7O3S and a molecular weight of 379.45 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]methanesulfonamide
PubChem CID122339018
Molecular FormulaC15H21N7O3S
Molecular Weight379.45 g/mol
Exact Mass379.14
IUPAC NameN-methyl-N-[2-oxo-2-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]methanesulfonamide
SMILESCN(CC(=O)N1CCN(c2ccc(-n3cccn3)nn2)CC1)S(C)(=O)=O
InChIInChI=1S/C15H21N7O3S/c1-19(26(2,24)25)12-15(23)21-10-8-20(9-11-21)13-4-5-14(18-17-13)22-7-3-6-16-22/h3-7H,8-12H2,1-2H3
InChIKeyAAZRVLWEZFMBLA-UHFFFAOYSA-N
XLogP-0.80
TPSA104.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 5-0.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-methyl-N-[2-oxo-2-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]methanesulfonamide
CID 122341605
N-[2-[4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 122336706
N-[2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 122339263
2-[methyl(methylsulfonyl)amino]-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122292782
2-(2-methylphenoxy)-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 122338976
N-[2-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 122342702
N-methyl-N-[2-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]methanesulfonamide
CID 122343492
3-phenyl-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one
CID 71962170
2-methyl-6-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]pyridazin-3-one
CID 122338958
N-[2-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 122338267
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 30464624
N-methyl-N-[2-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]methanesulfonamide
CID 122349538

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[2-oxo-2-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]methanesulfonamide (CID 122339018) is N-methyl-N-[2-oxo-2-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[2-oxo-2-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[2-oxo-2-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]methanesulfonamide is CN(CC(=O)N1CCN(c2ccc(-n3cccn3)nn2)CC1)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[2-oxo-2-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]methanesulfonamide?
The InChIKey is AAZRVLWEZFMBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O3S/c1-19(26(2,24)25)12-15(23)21-10-8-20(9-11-21)13-4-5-14(18-17-13)22-7-3-6-16-22/h3-7H,8-12H2,1-2H3.
What are the key properties of N-methyl-N-[2-oxo-2-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]methanesulfonamide?
N-methyl-N-[2-oxo-2-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]methanesulfonamide has a molecular weight of 379.45 g/mol, XLogP of -0.80, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-2-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 122339018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).