3-[3-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-oxopropyl]-1H-pyridazin-6-one

C17H23N5O2 — CID 56746693

IUPAC3-[3-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-oxopropyl]-1H-pyridazin-6-one
SMILESCCc1cn[nH]c1C1CCN(C(=O)CCc2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C17H23N5O2/c1-2-12-11-18-21-17(12)13-7-9-22(10-8-13)16(24)6-4-14-3-5-15(23)20-19-14/h3,5,11,13H,2,4,6-10H2,1H3,(H,18,21)(H,20,23)
InChIKeyFUNQTAGJAZPKEM-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.39
Rot. Bonds5

About 3-[3-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-oxopropyl]-1H-pyridazin-6-one

3-[3-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-oxopropyl]-1H-pyridazin-6-one (PubChem CID 56746693) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-[3-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-oxopropyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[3-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-oxopropyl]-1H-pyridazin-6-one
PubChem CID56746693
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name3-[3-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-oxopropyl]-1H-pyridazin-6-one
SMILESCCc1cn[nH]c1C1CCN(C(=O)CCc2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C17H23N5O2/c1-2-12-11-18-21-17(12)13-7-9-22(10-8-13)16(24)6-4-14-3-5-15(23)20-19-14/h3,5,11,13H,2,4,6-10H2,1H3,(H,18,21)(H,20,23)
InChIKeyFUNQTAGJAZPKEM-UHFFFAOYSA-N
XLogP1.39
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-oxopropyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[3-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-oxopropyl]-1H-pyridazin-6-one (CID 56746693) is 3-[3-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-oxopropyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[3-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-oxopropyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[3-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-oxopropyl]-1H-pyridazin-6-one is CCc1cn[nH]c1C1CCN(C(=O)CCc2ccc(=O)[nH]n2)CC1.
What is the InChIKey of 3-[3-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-oxopropyl]-1H-pyridazin-6-one?
The InChIKey is FUNQTAGJAZPKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-2-12-11-18-21-17(12)13-7-9-22(10-8-13)16(24)6-4-14-3-5-15(23)20-19-14/h3,5,11,13H,2,4,6-10H2,1H3,(H,18,21)(H,20,23).
What are the key properties of 3-[3-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-oxopropyl]-1H-pyridazin-6-one?
3-[3-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-oxopropyl]-1H-pyridazin-6-one has a molecular weight of 329.40 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-oxopropyl]-1H-pyridazin-6-one is sourced from PubChem (CID 56746693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).