[2-(3-fluorophenyl)piperazin-1-yl]-[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]methanone

C22H23FN4O2 — CID 120735627

IUPAC[2-(3-fluorophenyl)piperazin-1-yl]-[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]methanone
SMILESCOc1ccc(C)cc1-n1ccc(C(=O)N2CCNCC2c2cccc(F)c2)n1
InChIInChI=1S/C22H23FN4O2/c1-15-6-7-21(29-2)19(12-15)27-10-8-18(25-27)22(28)26-11-9-24-14-20(26)16-4-3-5-17(23)13-16/h3-8,10,12-13,20,24H,9,11,14H2,1-2H3
InChIKeyPSMLYNOFWMVVHM-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.12
Rot. Bonds4

About [2-(3-fluorophenyl)piperazin-1-yl]-[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]methanone

[2-(3-fluorophenyl)piperazin-1-yl]-[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]methanone (PubChem CID 120735627) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is [2-(3-fluorophenyl)piperazin-1-yl]-[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[2-(3-fluorophenyl)piperazin-1-yl]-[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]methanone
PubChem CID120735627
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC Name[2-(3-fluorophenyl)piperazin-1-yl]-[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]methanone
SMILESCOc1ccc(C)cc1-n1ccc(C(=O)N2CCNCC2c2cccc(F)c2)n1
InChIInChI=1S/C22H23FN4O2/c1-15-6-7-21(29-2)19(12-15)27-10-8-18(25-27)22(28)26-11-9-24-14-20(26)16-4-3-5-17(23)13-16/h3-8,10,12-13,20,24H,9,11,14H2,1-2H3
InChIKeyPSMLYNOFWMVVHM-UHFFFAOYSA-N
XLogP3.12
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(3-fluorophenyl)piperazin-1-yl]-[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]methanone with MolForge

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Related Compounds

1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(2-methoxy-5-methylphenyl)ethanone;hydrochloride
CID 120737341
(2,3-dimethylpiperazin-1-yl)-[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]methanone
CID 120572934
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120737442
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone;hydrochloride
CID 120737441
[2-(3-fluorophenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 120736320
[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120995601
(2,4-dimethoxyphenyl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120736417
[2-(3-fluorophenyl)piperazin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone;hydrochloride
CID 120737611
(3S)-4-[1-(2-methoxy-5-methylphenyl)pyrazole-3-carbonyl]morpholine-3-carboxylic acid
CID 125133250
[2-(3-fluorophenyl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 120737504
(5-cyclopropyl-1-methylpyrazol-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120737538
(3,4-dimethylphenyl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120737461

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluorophenyl)piperazin-1-yl]-[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]methanone?
The IUPAC name of [2-(3-fluorophenyl)piperazin-1-yl]-[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]methanone (CID 120735627) is [2-(3-fluorophenyl)piperazin-1-yl]-[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]methanone.
What is the SMILES notation for [2-(3-fluorophenyl)piperazin-1-yl]-[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]methanone?
The canonical SMILES for [2-(3-fluorophenyl)piperazin-1-yl]-[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]methanone is COc1ccc(C)cc1-n1ccc(C(=O)N2CCNCC2c2cccc(F)c2)n1.
What is the InChIKey of [2-(3-fluorophenyl)piperazin-1-yl]-[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]methanone?
The InChIKey is PSMLYNOFWMVVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c1-15-6-7-21(29-2)19(12-15)27-10-8-18(25-27)22(28)26-11-9-24-14-20(26)16-4-3-5-17(23)13-16/h3-8,10,12-13,20,24H,9,11,14H2,1-2H3.
What are the key properties of [2-(3-fluorophenyl)piperazin-1-yl]-[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]methanone?
[2-(3-fluorophenyl)piperazin-1-yl]-[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]methanone has a molecular weight of 394.45 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluorophenyl)piperazin-1-yl]-[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]methanone is sourced from PubChem (CID 120735627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).