3-(4-methylpyrazol-1-yl)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one

C16H22N6O — CID 56778547

IUPAC3-(4-methylpyrazol-1-yl)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one
SMILESCc1cnn(CCC(=O)N2CCC(Nc3cccnn3)CC2)c1
InChIInChI=1S/C16H22N6O/c1-13-11-18-22(12-13)10-6-16(23)21-8-4-14(5-9-21)19-15-3-2-7-17-20-15/h2-3,7,11-12,14H,4-6,8-10H2,1H3,(H,19,20)
InChIKeyINXVAKSKSLTQJY-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.47
Rot. Bonds5

About 3-(4-methylpyrazol-1-yl)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one

3-(4-methylpyrazol-1-yl)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one (PubChem CID 56778547) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-(4-methylpyrazol-1-yl)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-methylpyrazol-1-yl)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one
PubChem CID56778547
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name3-(4-methylpyrazol-1-yl)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one
SMILESCc1cnn(CCC(=O)N2CCC(Nc3cccnn3)CC2)c1
InChIInChI=1S/C16H22N6O/c1-13-11-18-22(12-13)10-6-16(23)21-8-4-14(5-9-21)19-15-3-2-7-17-20-15/h2-3,7,11-12,14H,4-6,8-10H2,1H3,(H,19,20)
InChIKeyINXVAKSKSLTQJY-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpyrazol-1-yl)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(4-methylpyrazol-1-yl)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one (CID 56778547) is 3-(4-methylpyrazol-1-yl)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-methylpyrazol-1-yl)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-methylpyrazol-1-yl)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one is Cc1cnn(CCC(=O)N2CCC(Nc3cccnn3)CC2)c1.
What is the InChIKey of 3-(4-methylpyrazol-1-yl)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one?
The InChIKey is INXVAKSKSLTQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-13-11-18-22(12-13)10-6-16(23)21-8-4-14(5-9-21)19-15-3-2-7-17-20-15/h2-3,7,11-12,14H,4-6,8-10H2,1H3,(H,19,20).
What are the key properties of 3-(4-methylpyrazol-1-yl)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one?
3-(4-methylpyrazol-1-yl)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one has a molecular weight of 314.39 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpyrazol-1-yl)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 56778547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).