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

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

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Related Compounds

2-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]acetic acid
CID 56741273
[3-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-oxopropyl]urea
CID 56738385
(2-hydroxy-4-methylphenyl)-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 56752151
[1-(methoxymethyl)cyclobutyl]-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 70769822
(2,6-dihydroxyphenyl)-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 56752335
1-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 56754651
5-acetyl-6-methyl-3-[4-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 56758939
[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 70785248
1-[5-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1H-pyrazol-3-yl]ethanone
CID 56760118
6-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidin-4-amine
CID 56711059
4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]-1-[[(3S)-oxolan-3-yl]methyl]piperidine
CID 95202871
[4-(aminomethyl)phenyl]-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone;hydrochloride
CID 154895013

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).