6-(3,5-dimethylpyrazol-1-yl)-2-[4-(2-phenylethylamino)cyclohexyl]pyridazin-3-one

C23H29N5O — CID 126937014

IUPAC6-(3,5-dimethylpyrazol-1-yl)-2-[4-(2-phenylethylamino)cyclohexyl]pyridazin-3-one
SMILESCc1cc(C)n(-c2ccc(=O)n(C3CCC(NCCc4ccccc4)CC3)n2)n1
InChIInChI=1S/C23H29N5O/c1-17-16-18(2)27(25-17)22-12-13-23(29)28(26-22)21-10-8-20(9-11-21)24-15-14-19-6-4-3-5-7-19/h3-7,12-13,16,20-21,24H,8-11,14-15H2,1-2H3
InChIKeyKNWUVEAJJLSTMS-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.36
Rot. Bonds6

About 6-(3,5-dimethylpyrazol-1-yl)-2-[4-(2-phenylethylamino)cyclohexyl]pyridazin-3-one

6-(3,5-dimethylpyrazol-1-yl)-2-[4-(2-phenylethylamino)cyclohexyl]pyridazin-3-one (PubChem CID 126937014) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-2-[4-(2-phenylethylamino)cyclohexyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-2-[4-(2-phenylethylamino)cyclohexyl]pyridazin-3-one
PubChem CID126937014
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-2-[4-(2-phenylethylamino)cyclohexyl]pyridazin-3-one
SMILESCc1cc(C)n(-c2ccc(=O)n(C3CCC(NCCc4ccccc4)CC3)n2)n1
InChIInChI=1S/C23H29N5O/c1-17-16-18(2)27(25-17)22-12-13-23(29)28(26-22)21-10-8-20(9-11-21)24-15-14-19-6-4-3-5-7-19/h3-7,12-13,16,20-21,24H,8-11,14-15H2,1-2H3
InChIKeyKNWUVEAJJLSTMS-UHFFFAOYSA-N
XLogP3.36
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(cyclobutylamino)cyclohexyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
CID 126937029
6-(3,5-dimethylpyrazol-1-yl)-2-[4-[(5-methylfuran-2-yl)methylamino]cyclohexyl]pyridazin-3-one
CID 126937016
2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)cyclohexyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
CID 126937019
N-[4-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]cyclohexyl]morpholine-4-sulfonamide
CID 126936949
6-(3,5-dimethylpyrazol-1-yl)-2-[4-[(4-methylphthalazin-1-yl)amino]cyclohexyl]pyridazin-3-one
CID 126937040
N-[4-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide
CID 126936914
6-(3,5-dimethylpyrazol-1-yl)-2-[4-(phthalazin-1-ylamino)cyclohexyl]pyridazin-3-one
CID 126937042
6-(3,5-dimethylpyrazol-1-yl)-2-[4-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]cyclohexyl]pyridazin-3-one
CID 126937133
6-(3,5-dimethylpyrazol-1-yl)-2-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]pyridazin-3-one
CID 126936965
2-[4-[(1-acetyl-3-hydroxypyrrolidin-3-yl)methylamino]cyclohexyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
CID 126937111
2-[4-(1-azabicyclo[2.2.2]octan-3-ylamino)cyclohexyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
CID 126937030
N-[4-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]cyclohexyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 126936877

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-2-[4-(2-phenylethylamino)cyclohexyl]pyridazin-3-one?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-2-[4-(2-phenylethylamino)cyclohexyl]pyridazin-3-one (CID 126937014) is 6-(3,5-dimethylpyrazol-1-yl)-2-[4-(2-phenylethylamino)cyclohexyl]pyridazin-3-one.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-2-[4-(2-phenylethylamino)cyclohexyl]pyridazin-3-one?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-2-[4-(2-phenylethylamino)cyclohexyl]pyridazin-3-one is Cc1cc(C)n(-c2ccc(=O)n(C3CCC(NCCc4ccccc4)CC3)n2)n1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-2-[4-(2-phenylethylamino)cyclohexyl]pyridazin-3-one?
The InChIKey is KNWUVEAJJLSTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c1-17-16-18(2)27(25-17)22-12-13-23(29)28(26-22)21-10-8-20(9-11-21)24-15-14-19-6-4-3-5-7-19/h3-7,12-13,16,20-21,24H,8-11,14-15H2,1-2H3.
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-2-[4-(2-phenylethylamino)cyclohexyl]pyridazin-3-one?
6-(3,5-dimethylpyrazol-1-yl)-2-[4-(2-phenylethylamino)cyclohexyl]pyridazin-3-one has a molecular weight of 391.52 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-2-[4-(2-phenylethylamino)cyclohexyl]pyridazin-3-one is sourced from PubChem (CID 126937014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).