2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]-N,N-dimethylpropanamide

C18H20N6O2 — CID 137029392

IUPAC2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]-N,N-dimethylpropanamide
SMILESCC(C(=O)N(C)C)n1cc(-c2cc(-c3ccccc3O)nnc2N)cn1
InChIInChI=1S/C18H20N6O2/c1-11(18(26)23(2)3)24-10-12(9-20-24)14-8-15(21-22-17(14)19)13-6-4-5-7-16(13)25/h4-11,25H,1-3H3,(H2,19,22)
InChIKeyUBFNRPGSFRMZGQ-UHFFFAOYSA-N
MW352.40 g/mol
LogP1.94
Rot. Bonds4

About 2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]-N,N-dimethylpropanamide

2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]-N,N-dimethylpropanamide (PubChem CID 137029392) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]-N,N-dimethylpropanamide
PubChem CID137029392
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]-N,N-dimethylpropanamide
SMILESCC(C(=O)N(C)C)n1cc(-c2cc(-c3ccccc3O)nnc2N)cn1
InChIInChI=1S/C18H20N6O2/c1-11(18(26)23(2)3)24-10-12(9-20-24)14-8-15(21-22-17(14)19)13-6-4-5-7-16(13)25/h4-11,25H,1-3H3,(H2,19,22)
InChIKeyUBFNRPGSFRMZGQ-UHFFFAOYSA-N
XLogP1.94
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]-N,N-dimethylpropanamide?
The IUPAC name of 2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]-N,N-dimethylpropanamide (CID 137029392) is 2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]-N,N-dimethylpropanamide is CC(C(=O)N(C)C)n1cc(-c2cc(-c3ccccc3O)nnc2N)cn1.
What is the InChIKey of 2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]-N,N-dimethylpropanamide?
The InChIKey is UBFNRPGSFRMZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-11(18(26)23(2)3)24-10-12(9-20-24)14-8-15(21-22-17(14)19)13-6-4-5-7-16(13)25/h4-11,25H,1-3H3,(H2,19,22).
What are the key properties of 2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]-N,N-dimethylpropanamide?
2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]-N,N-dimethylpropanamide has a molecular weight of 352.40 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]-N,N-dimethylpropanamide is sourced from PubChem (CID 137029392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).