3-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one

C20H23N5O2 — CID 56759715

IUPAC3-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCc1cccc(-c2cn[nH]c2C2CCN(C(=O)C3=NNC(=O)CC3)CC2)c1
InChIInChI=1S/C20H23N5O2/c1-13-3-2-4-15(11-13)16-12-21-24-19(16)14-7-9-25(10-8-14)20(27)17-5-6-18(26)23-22-17/h2-4,11-12,14H,5-10H2,1H3,(H,21,24)(H,23,26)
InChIKeyCGYBQVXZNDMUOH-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.36
Rot. Bonds3

About 3-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one

3-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 56759715) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 3-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
PubChem CID56759715
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name3-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCc1cccc(-c2cn[nH]c2C2CCN(C(=O)C3=NNC(=O)CC3)CC2)c1
InChIInChI=1S/C20H23N5O2/c1-13-3-2-4-15(11-13)16-12-21-24-19(16)14-7-9-25(10-8-14)20(27)17-5-6-18(26)23-22-17/h2-4,11-12,14H,5-10H2,1H3,(H,21,24)(H,23,26)
InChIKeyCGYBQVXZNDMUOH-UHFFFAOYSA-N
XLogP2.36
TPSA90.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one (CID 56759715) is 3-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one is Cc1cccc(-c2cn[nH]c2C2CCN(C(=O)C3=NNC(=O)CC3)CC2)c1.
What is the InChIKey of 3-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is CGYBQVXZNDMUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-13-3-2-4-15(11-13)16-12-21-24-19(16)14-7-9-25(10-8-14)20(27)17-5-6-18(26)23-22-17/h2-4,11-12,14H,5-10H2,1H3,(H,21,24)(H,23,26).
What are the key properties of 3-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one?
3-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 365.44 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 56759715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).