2-methyl-3-pyrazol-1-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one

C16H22N6O — CID 56778535

IUPAC2-methyl-3-pyrazol-1-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one
SMILESCC(Cn1cccn1)C(=O)N1CCC(Nc2cccnn2)CC1
InChIInChI=1S/C16H22N6O/c1-13(12-22-9-3-8-18-22)16(23)21-10-5-14(6-11-21)19-15-4-2-7-17-20-15/h2-4,7-9,13-14H,5-6,10-12H2,1H3,(H,19,20)
InChIKeyWVLUGCQBCUPGTK-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.41
Rot. Bonds5

About 2-methyl-3-pyrazol-1-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one

2-methyl-3-pyrazol-1-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one (PubChem CID 56778535) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-methyl-3-pyrazol-1-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-3-pyrazol-1-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one
PubChem CID56778535
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name2-methyl-3-pyrazol-1-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one
SMILESCC(Cn1cccn1)C(=O)N1CCC(Nc2cccnn2)CC1
InChIInChI=1S/C16H22N6O/c1-13(12-22-9-3-8-18-22)16(23)21-10-5-14(6-11-21)19-15-4-2-7-17-20-15/h2-4,7-9,13-14H,5-6,10-12H2,1H3,(H,19,20)
InChIKeyWVLUGCQBCUPGTK-UHFFFAOYSA-N
XLogP1.41
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-pyrazol-1-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-3-pyrazol-1-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one (CID 56778535) is 2-methyl-3-pyrazol-1-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-3-pyrazol-1-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-3-pyrazol-1-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one is CC(Cn1cccn1)C(=O)N1CCC(Nc2cccnn2)CC1.
What is the InChIKey of 2-methyl-3-pyrazol-1-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one?
The InChIKey is WVLUGCQBCUPGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-13(12-22-9-3-8-18-22)16(23)21-10-5-14(6-11-21)19-15-4-2-7-17-20-15/h2-4,7-9,13-14H,5-6,10-12H2,1H3,(H,19,20).
What are the key properties of 2-methyl-3-pyrazol-1-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one?
2-methyl-3-pyrazol-1-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one has a molecular weight of 314.39 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-pyrazol-1-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 56778535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).