[4-(2-fluorophenyl)piperazin-1-yl]-[1-(3-methoxyphenyl)-5-methylpyrazol-3-yl]methanone

C22H23FN4O2 — CID 110373209

IUPAC[4-(2-fluorophenyl)piperazin-1-yl]-[1-(3-methoxyphenyl)-5-methylpyrazol-3-yl]methanone
SMILESCOc1cccc(-n2nc(C(=O)N3CCN(c4ccccc4F)CC3)cc2C)c1
InChIInChI=1S/C22H23FN4O2/c1-16-14-20(24-27(16)17-6-5-7-18(15-17)29-2)22(28)26-12-10-25(11-13-26)21-9-4-3-8-19(21)23/h3-9,14-15H,10-13H2,1-2H3
InChIKeyFDBQNAFGWSWSBP-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.29
Rot. Bonds4

About [4-(2-fluorophenyl)piperazin-1-yl]-[1-(3-methoxyphenyl)-5-methylpyrazol-3-yl]methanone

[4-(2-fluorophenyl)piperazin-1-yl]-[1-(3-methoxyphenyl)-5-methylpyrazol-3-yl]methanone (PubChem CID 110373209) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is [4-(2-fluorophenyl)piperazin-1-yl]-[1-(3-methoxyphenyl)-5-methylpyrazol-3-yl]methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)piperazin-1-yl]-[1-(3-methoxyphenyl)-5-methylpyrazol-3-yl]methanone
PubChem CID110373209
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC Name[4-(2-fluorophenyl)piperazin-1-yl]-[1-(3-methoxyphenyl)-5-methylpyrazol-3-yl]methanone
SMILESCOc1cccc(-n2nc(C(=O)N3CCN(c4ccccc4F)CC3)cc2C)c1
InChIInChI=1S/C22H23FN4O2/c1-16-14-20(24-27(16)17-6-5-7-18(15-17)29-2)22(28)26-12-10-25(11-13-26)21-9-4-3-8-19(21)23/h3-9,14-15H,10-13H2,1-2H3
InChIKeyFDBQNAFGWSWSBP-UHFFFAOYSA-N
XLogP3.29
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(3-methoxyphenyl)-5-methylpyrazol-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 110373220
[4-(2-fluorophenyl)piperazin-1-yl]-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 42537522
(2,4-dimethoxyphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 3148007
[4-(2-ethylphenyl)piperazin-1-yl]-[2-(3-methoxyphenyl)-5-methylpyrazol-3-yl]methanone
CID 10069792
[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 110373058
[1-(3,4-dichlorophenyl)-3-(2,4-dimethoxyphenyl)pyrazol-5-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 42758946
[4-(2,2-dimethylpropyl)piperazin-1-yl]-[1-(2-fluorophenyl)-5-methylpyrazol-3-yl]methanone
CID 110629418
[4-(2-fluorophenyl)piperazin-1-yl]-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone
CID 51155040
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]ethanone;hydrochloride
CID 45284437
2-(2,4-dimethoxyphenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phthalazin-1-one
CID 22333973
ethyl 4-[1-(3-chlorophenyl)-5-methylpyrazole-3-carbonyl]piperazine-1-carboxylate
CID 110373026
1-[1-(2-fluorophenyl)-5-methylpyrazole-3-carbonyl]piperidine-4-carboxamide
CID 110676727

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-[1-(3-methoxyphenyl)-5-methylpyrazol-3-yl]methanone?
The IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-[1-(3-methoxyphenyl)-5-methylpyrazol-3-yl]methanone (CID 110373209) is [4-(2-fluorophenyl)piperazin-1-yl]-[1-(3-methoxyphenyl)-5-methylpyrazol-3-yl]methanone.
What is the SMILES notation for [4-(2-fluorophenyl)piperazin-1-yl]-[1-(3-methoxyphenyl)-5-methylpyrazol-3-yl]methanone?
The canonical SMILES for [4-(2-fluorophenyl)piperazin-1-yl]-[1-(3-methoxyphenyl)-5-methylpyrazol-3-yl]methanone is COc1cccc(-n2nc(C(=O)N3CCN(c4ccccc4F)CC3)cc2C)c1.
What is the InChIKey of [4-(2-fluorophenyl)piperazin-1-yl]-[1-(3-methoxyphenyl)-5-methylpyrazol-3-yl]methanone?
The InChIKey is FDBQNAFGWSWSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c1-16-14-20(24-27(16)17-6-5-7-18(15-17)29-2)22(28)26-12-10-25(11-13-26)21-9-4-3-8-19(21)23/h3-9,14-15H,10-13H2,1-2H3.
What are the key properties of [4-(2-fluorophenyl)piperazin-1-yl]-[1-(3-methoxyphenyl)-5-methylpyrazol-3-yl]methanone?
[4-(2-fluorophenyl)piperazin-1-yl]-[1-(3-methoxyphenyl)-5-methylpyrazol-3-yl]methanone has a molecular weight of 394.45 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)piperazin-1-yl]-[1-(3-methoxyphenyl)-5-methylpyrazol-3-yl]methanone is sourced from PubChem (CID 110373209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).