2-pyrazol-1-yl-1-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone

C17H19N7O — CID 122341657

IUPAC2-pyrazol-1-yl-1-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone
SMILESO=C(Cn1cccn1)N1CCN(c2ccc(-n3cccc3)nn2)CC1
InChIInChI=1S/C17H19N7O/c25-17(14-24-9-3-6-18-24)23-12-10-22(11-13-23)16-5-4-15(19-20-16)21-7-1-2-8-21/h1-9H,10-14H2
InChIKeySCNJPHSBMMWSEF-UHFFFAOYSA-N
MW337.39 g/mol
LogP0.81
Rot. Bonds4

About 2-pyrazol-1-yl-1-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone

2-pyrazol-1-yl-1-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone (PubChem CID 122341657) has the molecular formula C17H19N7O and a molecular weight of 337.39 g/mol. Its IUPAC name is 2-pyrazol-1-yl-1-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-pyrazol-1-yl-1-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone
PubChem CID122341657
Molecular FormulaC17H19N7O
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC Name2-pyrazol-1-yl-1-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone
SMILESO=C(Cn1cccn1)N1CCN(c2ccc(-n3cccc3)nn2)CC1
InChIInChI=1S/C17H19N7O/c25-17(14-24-9-3-6-18-24)23-12-10-22(11-13-23)16-5-4-15(19-20-16)21-7-1-2-8-21/h1-9H,10-14H2
InChIKeySCNJPHSBMMWSEF-UHFFFAOYSA-N
XLogP0.81
TPSA72.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-pyrrol-1-yl-1-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 122341661
N-methyl-N-[2-oxo-2-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]methanesulfonamide
CID 122341605
1-piperazin-1-yl-2-pyrazol-1-ylethanone
CID 23070038
2-pyrazol-1-yl-1-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-diazepan-1-yl]ethanone
CID 139028055
3-(3-methylphenyl)-1-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 122341628
2-(1,2,4-triazol-1-yl)-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 72719893
2-pyrazol-1-yl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone
CID 90508652
2-(3-methoxyphenoxy)-1-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 122341561
(4-ethoxyphenyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 71799903
(4-phenylphenyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122341423
3-[2-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 90539579
[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]-quinoxalin-6-ylmethanone
CID 122341664

Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-yl-1-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-pyrazol-1-yl-1-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone (CID 122341657) is 2-pyrazol-1-yl-1-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-pyrazol-1-yl-1-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-pyrazol-1-yl-1-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone is O=C(Cn1cccn1)N1CCN(c2ccc(-n3cccc3)nn2)CC1.
What is the InChIKey of 2-pyrazol-1-yl-1-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone?
The InChIKey is SCNJPHSBMMWSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O/c25-17(14-24-9-3-6-18-24)23-12-10-22(11-13-23)16-5-4-15(19-20-16)21-7-1-2-8-21/h1-9H,10-14H2.
What are the key properties of 2-pyrazol-1-yl-1-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone?
2-pyrazol-1-yl-1-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone has a molecular weight of 337.39 g/mol, XLogP of 0.81, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-yl-1-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 122341657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).