2,2-dimethyl-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]propanamide

C18H20N6O — CID 70702543

IUPAC2,2-dimethyl-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]propanamide
SMILESCC(C)(C)C(=O)Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1
InChIInChI=1S/C18H20N6O/c1-18(2,3)17(25)21-14-7-5-13(6-8-14)20-15-9-10-16(23-22-15)24-12-4-11-19-24/h4-12H,1-3H3,(H,20,22)(H,21,25)
InChIKeyVBUNNBMWCRBXAY-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.39
Rot. Bonds4

About 2,2-dimethyl-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]propanamide

2,2-dimethyl-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]propanamide (PubChem CID 70702543) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]propanamide
PubChem CID70702543
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name2,2-dimethyl-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]propanamide
SMILESCC(C)(C)C(=O)Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1
InChIInChI=1S/C18H20N6O/c1-18(2,3)17(25)21-14-7-5-13(6-8-14)20-15-9-10-16(23-22-15)24-12-4-11-19-24/h4-12H,1-3H3,(H,20,22)(H,21,25)
InChIKeyVBUNNBMWCRBXAY-UHFFFAOYSA-N
XLogP3.39
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,2-dimethyl-N-[4-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]propanamide
CID 121072744
3,3,3-trifluoro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]propanamide
CID 122292138
N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-2-pyrrol-1-ylacetamide
CID 122292130
N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]pyrazine-2-carboxamide
CID 56921644
1-(2,5-dimethylphenyl)-3-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]urea
CID 16839226
2-phenoxy-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]acetamide
CID 70702527
N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 122292140
2-(2-chloro-6-fluorophenyl)-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]acetamide
CID 122292158
3-(4-fluorophenyl)-1-methyl-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]pyrazole-5-carboxamide
CID 122292068
benzyl N-[2-oxo-2-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]anilino]ethyl]carbamate
CID 122292113
N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-1,3-benzothiazole-6-carboxamide
CID 122292016
2-fluoro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide
CID 16802116

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]propanamide (CID 70702543) is 2,2-dimethyl-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]propanamide is CC(C)(C)C(=O)Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1.
What is the InChIKey of 2,2-dimethyl-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]propanamide?
The InChIKey is VBUNNBMWCRBXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-18(2,3)17(25)21-14-7-5-13(6-8-14)20-15-9-10-16(23-22-15)24-12-4-11-19-24/h4-12H,1-3H3,(H,20,22)(H,21,25).
What are the key properties of 2,2-dimethyl-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]propanamide?
2,2-dimethyl-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]propanamide has a molecular weight of 336.40 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]propanamide is sourced from PubChem (CID 70702543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).