2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]-1-(4-phenylphenyl)ethanol

C23H23N5O — CID 133477233

IUPAC2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]-1-(4-phenylphenyl)ethanol
SMILESCc1cc(C)n(-c2ccc(NCC(O)c3ccc(-c4ccccc4)cc3)nn2)n1
InChIInChI=1S/C23H23N5O/c1-16-14-17(2)28(27-16)23-13-12-22(25-26-23)24-15-21(29)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-14,21,29H,15H2,1-2H3,(H,24,25)
InChIKeyWEBBTPCVQRFGBG-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.09
Rot. Bonds6

About 2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]-1-(4-phenylphenyl)ethanol

2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]-1-(4-phenylphenyl)ethanol (PubChem CID 133477233) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]-1-(4-phenylphenyl)ethanol.

Molecular Properties

Compound Name2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]-1-(4-phenylphenyl)ethanol
PubChem CID133477233
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]-1-(4-phenylphenyl)ethanol
SMILESCc1cc(C)n(-c2ccc(NCC(O)c3ccc(-c4ccccc4)cc3)nn2)n1
InChIInChI=1S/C23H23N5O/c1-16-14-17(2)28(27-16)23-13-12-22(25-26-23)24-15-21(29)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-14,21,29H,15H2,1-2H3,(H,24,25)
InChIKeyWEBBTPCVQRFGBG-UHFFFAOYSA-N
XLogP4.09
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]-1-(4-phenylphenyl)ethanol?
The IUPAC name of 2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]-1-(4-phenylphenyl)ethanol (CID 133477233) is 2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]-1-(4-phenylphenyl)ethanol.
What is the SMILES notation for 2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]-1-(4-phenylphenyl)ethanol?
The canonical SMILES for 2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]-1-(4-phenylphenyl)ethanol is Cc1cc(C)n(-c2ccc(NCC(O)c3ccc(-c4ccccc4)cc3)nn2)n1.
What is the InChIKey of 2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]-1-(4-phenylphenyl)ethanol?
The InChIKey is WEBBTPCVQRFGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-16-14-17(2)28(27-16)23-13-12-22(25-26-23)24-15-21(29)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-14,21,29H,15H2,1-2H3,(H,24,25).
What are the key properties of 2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]-1-(4-phenylphenyl)ethanol?
2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]-1-(4-phenylphenyl)ethanol has a molecular weight of 385.47 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]-1-(4-phenylphenyl)ethanol is sourced from PubChem (CID 133477233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).