N-[6-[benzyl(ethyl)amino]pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C18H22N6O2S — CID 113041950

IUPACN-[6-[benzyl(ethyl)amino]pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCCN(Cc1ccccc1)c1ccc(NS(=O)(=O)c2c(C)n[nH]c2C)nn1
InChIInChI=1S/C18H22N6O2S/c1-4-24(12-15-8-6-5-7-9-15)17-11-10-16(21-22-17)23-27(25,26)18-13(2)19-20-14(18)3/h5-11H,4,12H2,1-3H3,(H,19,20)(H,21,23)
InChIKeyMVWDKBKHKVFPFQ-UHFFFAOYSA-N
MW386.48 g/mol
LogP2.64
Rot. Bonds7

About N-[6-[benzyl(ethyl)amino]pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-[6-[benzyl(ethyl)amino]pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 113041950) has the molecular formula C18H22N6O2S and a molecular weight of 386.48 g/mol. Its IUPAC name is N-[6-[benzyl(ethyl)amino]pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[6-[benzyl(ethyl)amino]pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID113041950
Molecular FormulaC18H22N6O2S
Molecular Weight386.48 g/mol
Exact Mass386.15
IUPAC NameN-[6-[benzyl(ethyl)amino]pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCCN(Cc1ccccc1)c1ccc(NS(=O)(=O)c2c(C)n[nH]c2C)nn1
InChIInChI=1S/C18H22N6O2S/c1-4-24(12-15-8-6-5-7-9-15)17-11-10-16(21-22-17)23-27(25,26)18-13(2)19-20-14(18)3/h5-11H,4,12H2,1-3H3,(H,19,20)(H,21,23)
InChIKeyMVWDKBKHKVFPFQ-UHFFFAOYSA-N
XLogP2.64
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-{[3-(4-aminophenyl)-1H-pyrazol-5-yl]amino}benzene-1-sulfonamide
CID 6539618
4-{[3-(3-methanesulfonamidophenyl)-1H-pyrazol-5-yl]amino}benzene-1-sulfonamide
CID 6539621
4-{[3-(3-benzenesulfonamidophenyl)-1H-pyrazol-5-yl]amino}benzene-1-sulfonamide
CID 6539623
4-{[3-(4-fluorophenyl)-1H-pyrazol-5-yl]amino}benzene-1-sulfonamide
CID 6539627
4-({3-[3-(morpholin-4-yl)phenyl]-1H-pyrazol-5-yl}amino)benzene-1-sulfonamide
CID 6539631
4-{[3-(3-aminophenyl)-1H-pyrazol-5-yl]amino}benzene-1-sulfonamide
CID 6539632
3-{[3-(4-fluorophenyl)-1H-pyrazol-5-yl]amino}benzene-1-sulfonamide
CID 6539626
1-Phenethyl-4-(5-phenyl-1H-pyrazol-3-yl)-piperazine
CID 10735344
3-(dimethylamino)-N-[6-(2-pyrrolidin-1-ylphenyl)pyridazin-3-yl]benzenesulfonamide
CID 162662120
4-methyl-N-[6-(2-pyrrolidin-1-ylphenyl)pyridazin-3-yl]benzenesulfonamide
CID 162664529
(3R)-3-[1,1-dioxo-6-(5-phenyl-1H-pyrazol-3-yl)-1,2,6-thiadiazinan-2-yl]pyrrolidine-1-carbonitrile
CID 141707663
4-({3-[4-(dimethylamino)phenyl]-1H-pyrazol-5-yl}amino)benzene-1-sulfonamide
CID 6539628

Frequently Asked Questions

What is the IUPAC name of N-[6-[benzyl(ethyl)amino]pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[6-[benzyl(ethyl)amino]pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 113041950) is N-[6-[benzyl(ethyl)amino]pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[6-[benzyl(ethyl)amino]pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[6-[benzyl(ethyl)amino]pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is CCN(Cc1ccccc1)c1ccc(NS(=O)(=O)c2c(C)n[nH]c2C)nn1.
What is the InChIKey of N-[6-[benzyl(ethyl)amino]pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is MVWDKBKHKVFPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2S/c1-4-24(12-15-8-6-5-7-9-15)17-11-10-16(21-22-17)23-27(25,26)18-13(2)19-20-14(18)3/h5-11H,4,12H2,1-3H3,(H,19,20)(H,21,23).
What are the key properties of N-[6-[benzyl(ethyl)amino]pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-[6-[benzyl(ethyl)amino]pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 386.48 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[benzyl(ethyl)amino]pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 113041950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).