1-[4-[1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carbonyl]piperazin-1-yl]ethanone

C19H25N7O2 — CID 90514137

IUPAC1-[4-[1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)C2CCN(c3ccc(-n4cccn4)nn3)CC2)CC1
InChIInChI=1S/C19H25N7O2/c1-15(27)23-11-13-25(14-12-23)19(28)16-5-9-24(10-6-16)17-3-4-18(22-21-17)26-8-2-7-20-26/h2-4,7-8,16H,5-6,9-14H2,1H3
InChIKeyJOLCXEBFKIOTPH-UHFFFAOYSA-N
MW383.46 g/mol
LogP0.57
Rot. Bonds3

About 1-[4-[1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carbonyl]piperazin-1-yl]ethanone

1-[4-[1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carbonyl]piperazin-1-yl]ethanone (PubChem CID 90514137) has the molecular formula C19H25N7O2 and a molecular weight of 383.46 g/mol. Its IUPAC name is 1-[4-[1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carbonyl]piperazin-1-yl]ethanone
PubChem CID90514137
Molecular FormulaC19H25N7O2
Molecular Weight383.46 g/mol
Exact Mass383.21
IUPAC Name1-[4-[1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)C2CCN(c3ccc(-n4cccn4)nn3)CC2)CC1
InChIInChI=1S/C19H25N7O2/c1-15(27)23-11-13-25(14-12-23)19(28)16-5-9-24(10-6-16)17-3-4-18(22-21-17)26-8-2-7-20-26/h2-4,7-8,16H,5-6,9-14H2,1H3
InChIKeyJOLCXEBFKIOTPH-UHFFFAOYSA-N
XLogP0.57
TPSA87.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[4-[1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carbonyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

N-(2-ethylphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 90514089
1-(6-pyrazol-1-ylpyridazin-3-yl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 52907567
cyclopropyl-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone
CID 110727399
N-(4-ethoxyphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 90514077
1-(4-fluorophenyl)-4-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 122338989
N-(3,4-dimethylphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 90514082
N-naphthalen-1-yl-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 90514093
[4-(2-chlorophenyl)piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidin-4-yl]methanone
CID 90601308
N-(2,4-dimethoxyphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 90514047
N-[(4-methoxyphenyl)methyl]-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 90514032
oxan-4-yl-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 121163206
ethyl 4-[1-(6-methylpyridazin-3-yl)piperidine-4-carbonyl]piperazine-1-carboxylate
CID 121118763

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carbonyl]piperazin-1-yl]ethanone (CID 90514137) is 1-[4-[1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carbonyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)C2CCN(c3ccc(-n4cccn4)nn3)CC2)CC1.
What is the InChIKey of 1-[4-[1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is JOLCXEBFKIOTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O2/c1-15(27)23-11-13-25(14-12-23)19(28)16-5-9-24(10-6-16)17-3-4-18(22-21-17)26-8-2-7-20-26/h2-4,7-8,16H,5-6,9-14H2,1H3.
What are the key properties of 1-[4-[1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carbonyl]piperazin-1-yl]ethanone?
1-[4-[1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 383.46 g/mol, XLogP of 0.57, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 90514137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).