3-[5-methyl-4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyridazin-6-one

C23H27N5O2 — CID 167926365

IUPAC3-[5-methyl-4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyridazin-6-one
SMILESCc1ccc(CCC2CCN(C(=O)c3cnn(-c4ccc(=O)[nH]n4)c3C)CC2)cc1
InChIInChI=1S/C23H27N5O2/c1-16-3-5-18(6-4-16)7-8-19-11-13-27(14-12-19)23(30)20-15-24-28(17(20)2)21-9-10-22(29)26-25-21/h3-6,9-10,15,19H,7-8,11-14H2,1-2H3,(H,26,29)
InChIKeyXNABGDHBFDAPKO-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.06
Rot. Bonds5

About 3-[5-methyl-4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyridazin-6-one

3-[5-methyl-4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyridazin-6-one (PubChem CID 167926365) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 3-[5-methyl-4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[5-methyl-4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyridazin-6-one
PubChem CID167926365
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name3-[5-methyl-4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyridazin-6-one
SMILESCc1ccc(CCC2CCN(C(=O)c3cnn(-c4ccc(=O)[nH]n4)c3C)CC2)cc1
InChIInChI=1S/C23H27N5O2/c1-16-3-5-18(6-4-16)7-8-19-11-13-27(14-12-19)23(30)20-15-24-28(17(20)2)21-9-10-22(29)26-25-21/h3-6,9-10,15,19H,7-8,11-14H2,1-2H3,(H,26,29)
InChIKeyXNABGDHBFDAPKO-UHFFFAOYSA-N
XLogP3.06
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[5-methyl-4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyridazin-6-one with MolForge

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Related Compounds

3-[4-(4-benzylpiperazine-1-carbonyl)-5-methylpyrazol-1-yl]-1H-pyridazin-6-one
CID 24650028
3-[4-[(2R)-2,4-dimethylpiperazine-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one
CID 97066448
3-[4-[(2S)-2-ethylmorpholine-4-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one
CID 39570435
3-[4-(2-phenylethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 35951602
3-[4-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one
CID 37314315
3-[4-(1,1-dioxo-1λ6-thia-4-azaspiro[5.5]undecane-4-carbonyl)-5-methylpyrazol-1-yl]-1H-pyridazin-6-one
CID 139012104
[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone
CID 119275906
2-methyl-5-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]isoindole-1,3-dione
CID 46679856
6-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 24567111
[(1R,2S)-2-methylcyclopropyl]-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 51928091
[(1S,2S)-2-methylcyclopropyl]-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 51928092
[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazol-4-yl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 31533813

Frequently Asked Questions

What is the IUPAC name of 3-[5-methyl-4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 3-[5-methyl-4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyridazin-6-one (CID 167926365) is 3-[5-methyl-4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[5-methyl-4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[5-methyl-4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyridazin-6-one is Cc1ccc(CCC2CCN(C(=O)c3cnn(-c4ccc(=O)[nH]n4)c3C)CC2)cc1.
What is the InChIKey of 3-[5-methyl-4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyridazin-6-one?
The InChIKey is XNABGDHBFDAPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-16-3-5-18(6-4-16)7-8-19-11-13-27(14-12-19)23(30)20-15-24-28(17(20)2)21-9-10-22(29)26-25-21/h3-6,9-10,15,19H,7-8,11-14H2,1-2H3,(H,26,29).
What are the key properties of 3-[5-methyl-4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyridazin-6-one?
3-[5-methyl-4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyridazin-6-one has a molecular weight of 405.50 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-methyl-4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 167926365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).