[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]methanone

C24H31N7O2 — CID 122335592

IUPAC[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]methanone
SMILESCCN(CC)c1ccc(N2CCN(C(=O)c3cc(-c4cccc(OC)c4)nn3C)CC2)nn1
InChIInChI=1S/C24H31N7O2/c1-5-29(6-2)22-10-11-23(26-25-22)30-12-14-31(15-13-30)24(32)21-17-20(27-28(21)3)18-8-7-9-19(16-18)33-4/h7-11,16-17H,5-6,12-15H2,1-4H3
InChIKeyPSJYHIVZOFQEDG-UHFFFAOYSA-N
MW449.56 g/mol
LogP2.69
Rot. Bonds7

About [4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]methanone

[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]methanone (PubChem CID 122335592) has the molecular formula C24H31N7O2 and a molecular weight of 449.56 g/mol. Its IUPAC name is [4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]methanone.

Molecular Properties

Compound Name[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]methanone
PubChem CID122335592
Molecular FormulaC24H31N7O2
Molecular Weight449.56 g/mol
Exact Mass449.25
IUPAC Name[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]methanone
SMILESCCN(CC)c1ccc(N2CCN(C(=O)c3cc(-c4cccc(OC)c4)nn3C)CC2)nn1
InChIInChI=1S/C24H31N7O2/c1-5-29(6-2)22-10-11-23(26-25-22)30-12-14-31(15-13-30)24(32)21-17-20(27-28(21)3)18-8-7-9-19(16-18)33-4/h7-11,16-17H,5-6,12-15H2,1-4H3
InChIKeyPSJYHIVZOFQEDG-UHFFFAOYSA-N
XLogP2.69
TPSA79.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122345960
[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347716
[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122340542
[4-(2-chlorophenyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]methanone
CID 3959522
[4-(3,4-dichlorophenyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]methanone
CID 121088743
4-[6-(diethylamino)pyridazin-3-yl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 122335422
[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 122333855
[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone
CID 122332622
[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]-(1,3-thiazolidin-3-yl)methanone
CID 122332132
[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]-(4-methylsulfonylpiperidin-1-yl)methanone
CID 90586549
[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]-[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122348460
1'-[3-(3-methoxyphenyl)-1-methylpyrazole-5-carbonyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90586305

Frequently Asked Questions

What is the IUPAC name of [4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]methanone?
The IUPAC name of [4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]methanone (CID 122335592) is [4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]methanone.
What is the SMILES notation for [4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]methanone?
The canonical SMILES for [4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]methanone is CCN(CC)c1ccc(N2CCN(C(=O)c3cc(-c4cccc(OC)c4)nn3C)CC2)nn1.
What is the InChIKey of [4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]methanone?
The InChIKey is PSJYHIVZOFQEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O2/c1-5-29(6-2)22-10-11-23(26-25-22)30-12-14-31(15-13-30)24(32)21-17-20(27-28(21)3)18-8-7-9-19(16-18)33-4/h7-11,16-17H,5-6,12-15H2,1-4H3.
What are the key properties of [4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]methanone?
[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]methanone has a molecular weight of 449.56 g/mol, XLogP of 2.69, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]methanone is sourced from PubChem (CID 122335592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).