4-(5-methyl-1H-pyrazol-4-yl)-6-(2-phenylmethoxyphenyl)pyridazin-3-amine

C21H19N5O — CID 170625032

IUPAC4-(5-methyl-1H-pyrazol-4-yl)-6-(2-phenylmethoxyphenyl)pyridazin-3-amine
SMILESCc1[nH]ncc1-c1cc(-c2ccccc2OCc2ccccc2)nnc1N
InChIInChI=1S/C21H19N5O/c1-14-18(12-23-24-14)17-11-19(25-26-21(17)22)16-9-5-6-10-20(16)27-13-15-7-3-2-4-8-15/h2-12H,13H2,1H3,(H2,22,26)(H,23,24)
InChIKeyQYFHYIZJADXTEE-UHFFFAOYSA-N
MW357.42 g/mol
LogP4.00
Rot. Bonds5

About 4-(5-methyl-1H-pyrazol-4-yl)-6-(2-phenylmethoxyphenyl)pyridazin-3-amine

4-(5-methyl-1H-pyrazol-4-yl)-6-(2-phenylmethoxyphenyl)pyridazin-3-amine (PubChem CID 170625032) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is 4-(5-methyl-1H-pyrazol-4-yl)-6-(2-phenylmethoxyphenyl)pyridazin-3-amine.

Molecular Properties

Compound Name4-(5-methyl-1H-pyrazol-4-yl)-6-(2-phenylmethoxyphenyl)pyridazin-3-amine
PubChem CID170625032
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name4-(5-methyl-1H-pyrazol-4-yl)-6-(2-phenylmethoxyphenyl)pyridazin-3-amine
SMILESCc1[nH]ncc1-c1cc(-c2ccccc2OCc2ccccc2)nnc1N
InChIInChI=1S/C21H19N5O/c1-14-18(12-23-24-14)17-11-19(25-26-21(17)22)16-9-5-6-10-20(16)27-13-15-7-3-2-4-8-15/h2-12H,13H2,1H3,(H2,22,26)(H,23,24)
InChIKeyQYFHYIZJADXTEE-UHFFFAOYSA-N
XLogP4.00
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-phenylmethoxyphenyl)quinolin-4-amine
CID 175090092
3-fluoro-5-(2-phenylmethoxyphenyl)pyridin-2-amine
CID 175669945
N-[[3-(2-phenylmethoxyphenyl)-1H-pyrazol-5-yl]methyl]ethanamine
CID 54847351
4-(2-phenylmethoxyphenyl)triazine
CID 129278501
3-(2-phenylmethoxyphenyl)-2-(2,2,2-trifluoroethoxy)aniline
CID 171854760
N-methyl-6-(2-phenylmethoxyphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
CID 141443158
3-(2-phenylmethoxyphenyl)pyridine-2,6-diamine
CID 139370202
3-chloro-5-(2-phenylmethoxyphenyl)pyridin-4-amine
CID 176729997
2-methyl-5-phenylmethoxypyrimidin-4-amine
CID 91812202
2-[2-(5-methyl-1H-pyrazol-4-yl)phenoxy]propanoic acid
CID 122571803
ethyl 1-methyl-3-(2-phenylmethoxyphenyl)pyrazole-5-carboxylate
CID 169144581
1-(4-bromophenyl)-4-(4-methoxy-2-phenylmethoxyphenyl)-2-(2-phenylmethoxyphenyl)imidazole
CID 155184214

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1H-pyrazol-4-yl)-6-(2-phenylmethoxyphenyl)pyridazin-3-amine?
The IUPAC name of 4-(5-methyl-1H-pyrazol-4-yl)-6-(2-phenylmethoxyphenyl)pyridazin-3-amine (CID 170625032) is 4-(5-methyl-1H-pyrazol-4-yl)-6-(2-phenylmethoxyphenyl)pyridazin-3-amine.
What is the SMILES notation for 4-(5-methyl-1H-pyrazol-4-yl)-6-(2-phenylmethoxyphenyl)pyridazin-3-amine?
The canonical SMILES for 4-(5-methyl-1H-pyrazol-4-yl)-6-(2-phenylmethoxyphenyl)pyridazin-3-amine is Cc1[nH]ncc1-c1cc(-c2ccccc2OCc2ccccc2)nnc1N.
What is the InChIKey of 4-(5-methyl-1H-pyrazol-4-yl)-6-(2-phenylmethoxyphenyl)pyridazin-3-amine?
The InChIKey is QYFHYIZJADXTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-14-18(12-23-24-14)17-11-19(25-26-21(17)22)16-9-5-6-10-20(16)27-13-15-7-3-2-4-8-15/h2-12H,13H2,1H3,(H2,22,26)(H,23,24).
What are the key properties of 4-(5-methyl-1H-pyrazol-4-yl)-6-(2-phenylmethoxyphenyl)pyridazin-3-amine?
4-(5-methyl-1H-pyrazol-4-yl)-6-(2-phenylmethoxyphenyl)pyridazin-3-amine has a molecular weight of 357.42 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1H-pyrazol-4-yl)-6-(2-phenylmethoxyphenyl)pyridazin-3-amine is sourced from PubChem (CID 170625032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).