5-[4-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one

C19H28N6O — CID 29255897

IUPAC5-[4-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one
SMILESCn1ncc(N2CCN(Cc3cn[nH]c3C3CCCCC3)CC2)cc1=O
InChIInChI=1S/C19H28N6O/c1-23-18(26)11-17(13-21-23)25-9-7-24(8-10-25)14-16-12-20-22-19(16)15-5-3-2-4-6-15/h11-13,15H,2-10,14H2,1H3,(H,20,22)
InChIKeyIKYVOHXJWNSCIE-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.87
Rot. Bonds4

About 5-[4-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one

5-[4-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one (PubChem CID 29255897) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is 5-[4-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-[4-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one
PubChem CID29255897
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name5-[4-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one
SMILESCn1ncc(N2CCN(Cc3cn[nH]c3C3CCCCC3)CC2)cc1=O
InChIInChI=1S/C19H28N6O/c1-23-18(26)11-17(13-21-23)25-9-7-24(8-10-25)14-16-12-20-22-19(16)15-5-3-2-4-6-15/h11-13,15H,2-10,14H2,1H3,(H,20,22)
InChIKeyIKYVOHXJWNSCIE-UHFFFAOYSA-N
XLogP1.87
TPSA70.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one?
The IUPAC name of 5-[4-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one (CID 29255897) is 5-[4-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one.
What is the SMILES notation for 5-[4-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one?
The canonical SMILES for 5-[4-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one is Cn1ncc(N2CCN(Cc3cn[nH]c3C3CCCCC3)CC2)cc1=O.
What is the InChIKey of 5-[4-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one?
The InChIKey is IKYVOHXJWNSCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-23-18(26)11-17(13-21-23)25-9-7-24(8-10-25)14-16-12-20-22-19(16)15-5-3-2-4-6-15/h11-13,15H,2-10,14H2,1H3,(H,20,22).
What are the key properties of 5-[4-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one?
5-[4-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one has a molecular weight of 356.47 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one is sourced from PubChem (CID 29255897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).