3,5-dimethyl-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]-1H-pyrazole-4-sulfonamide

C17H20N6O2S — CID 113040954

IUPAC3,5-dimethyl-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]-1H-pyrazole-4-sulfonamide
SMILESCc1ccccc1CNc1ccc(NS(=O)(=O)c2c(C)n[nH]c2C)nn1
InChIInChI=1S/C17H20N6O2S/c1-11-6-4-5-7-14(11)10-18-15-8-9-16(22-21-15)23-26(24,25)17-12(2)19-20-13(17)3/h4-9H,10H2,1-3H3,(H,18,21)(H,19,20)(H,22,23)
InChIKeyOTBHTIMFUPELTR-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.54
Rot. Bonds6

About 3,5-dimethyl-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]-1H-pyrazole-4-sulfonamide

3,5-dimethyl-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]-1H-pyrazole-4-sulfonamide (PubChem CID 113040954) has the molecular formula C17H20N6O2S and a molecular weight of 372.45 g/mol. Its IUPAC name is 3,5-dimethyl-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]-1H-pyrazole-4-sulfonamide
PubChem CID113040954
Molecular FormulaC17H20N6O2S
Molecular Weight372.45 g/mol
Exact Mass372.14
IUPAC Name3,5-dimethyl-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]-1H-pyrazole-4-sulfonamide
SMILESCc1ccccc1CNc1ccc(NS(=O)(=O)c2c(C)n[nH]c2C)nn1
InChIInChI=1S/C17H20N6O2S/c1-11-6-4-5-7-14(11)10-18-15-8-9-16(22-21-15)23-26(24,25)17-12(2)19-20-13(17)3/h4-9H,10H2,1-3H3,(H,18,21)(H,19,20)(H,22,23)
InChIKeyOTBHTIMFUPELTR-UHFFFAOYSA-N
XLogP2.54
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113041736
N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113041658
N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113041814
N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide
CID 113040931
3,5-dimethyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]-1H-pyrazole-4-sulfonamide
CID 113044152
N-[6-[benzyl(ethyl)amino]pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113041950
N-[6-(2,4-dimethylanilino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113046261
4-methoxy-2-methyl-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide
CID 113040944
N-[(2-ethylphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 64696182
2-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]phenyl]acetic acid
CID 62535345
N-[6-(cyclohexylamino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113039171
N-[6-(3-fluoroanilino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113050025

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]-1H-pyrazole-4-sulfonamide (CID 113040954) is 3,5-dimethyl-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]-1H-pyrazole-4-sulfonamide is Cc1ccccc1CNc1ccc(NS(=O)(=O)c2c(C)n[nH]c2C)nn1.
What is the InChIKey of 3,5-dimethyl-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]-1H-pyrazole-4-sulfonamide?
The InChIKey is OTBHTIMFUPELTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2S/c1-11-6-4-5-7-14(11)10-18-15-8-9-16(22-21-15)23-26(24,25)17-12(2)19-20-13(17)3/h4-9H,10H2,1-3H3,(H,18,21)(H,19,20)(H,22,23).
What are the key properties of 3,5-dimethyl-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]-1H-pyrazole-4-sulfonamide?
3,5-dimethyl-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]-1H-pyrazole-4-sulfonamide has a molecular weight of 372.45 g/mol, XLogP of 2.54, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 113040954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).