[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone

C21H22FN5O2 — CID 72717340

IUPAC[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone
SMILESCc1ccc(OC2CCN(C(=O)c3cc(-c4ccc(F)cc4)nn3C)CC2)nn1
InChIInChI=1S/C21H22FN5O2/c1-14-3-8-20(24-23-14)29-17-9-11-27(12-10-17)21(28)19-13-18(25-26(19)2)15-4-6-16(22)7-5-15/h3-8,13,17H,9-12H2,1-2H3
InChIKeyUYBKHHZEGMBNBH-UHFFFAOYSA-N
MW395.44 g/mol
LogP3.01
Rot. Bonds4

About [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone

[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone (PubChem CID 72717340) has the molecular formula C21H22FN5O2 and a molecular weight of 395.44 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone
PubChem CID72717340
Molecular FormulaC21H22FN5O2
Molecular Weight395.44 g/mol
Exact Mass395.18
IUPAC Name[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone
SMILESCc1ccc(OC2CCN(C(=O)c3cc(-c4ccc(F)cc4)nn3C)CC2)nn1
InChIInChI=1S/C21H22FN5O2/c1-14-3-8-20(24-23-14)29-17-9-11-27(12-10-17)21(28)19-13-18(25-26(19)2)15-4-6-16(22)7-5-15/h3-8,13,17H,9-12H2,1-2H3
InChIKeyUYBKHHZEGMBNBH-UHFFFAOYSA-N
XLogP3.01
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone
CID 121160924
[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 121162007
[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone
CID 90637917
[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-(4-thiophen-2-ylpiperidin-1-yl)methanone
CID 71787059
[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-phenylmethanone
CID 72717309
(2,6-dimethylmorpholin-4-yl)-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone
CID 42758584
[(3S)-3-(4-fluorophenyl)azepan-1-yl]-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone
CID 99979716
(2-methylphenyl)-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 90559517
(3-fluorophenyl)-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 90638662
[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 42758562
[3-(benzenesulfonyl)pyrrolidin-1-yl]-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone
CID 90584942
[4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone
CID 71799449

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone?
The IUPAC name of [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone (CID 72717340) is [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone.
What is the SMILES notation for [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone?
The canonical SMILES for [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone is Cc1ccc(OC2CCN(C(=O)c3cc(-c4ccc(F)cc4)nn3C)CC2)nn1.
What is the InChIKey of [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone?
The InChIKey is UYBKHHZEGMBNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O2/c1-14-3-8-20(24-23-14)29-17-9-11-27(12-10-17)21(28)19-13-18(25-26(19)2)15-4-6-16(22)7-5-15/h3-8,13,17H,9-12H2,1-2H3.
What are the key properties of [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone?
[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone has a molecular weight of 395.44 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone is sourced from PubChem (CID 72717340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).