[2-(4-methoxyphenyl)piperazin-1-yl]-(1-propylpyrazol-3-yl)methanone

C18H24N4O2 — CID 110109389

IUPAC[2-(4-methoxyphenyl)piperazin-1-yl]-(1-propylpyrazol-3-yl)methanone
SMILESCCCn1ccc(C(=O)N2CCNCC2c2ccc(OC)cc2)n1
InChIInChI=1S/C18H24N4O2/c1-3-10-21-11-8-16(20-21)18(23)22-12-9-19-13-17(22)14-4-6-15(24-2)7-5-14/h4-8,11,17,19H,3,9-10,12-13H2,1-2H3
InChIKeyUUWJTSRFJQXEOR-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.09
Rot. Bonds5

About [2-(4-methoxyphenyl)piperazin-1-yl]-(1-propylpyrazol-3-yl)methanone

[2-(4-methoxyphenyl)piperazin-1-yl]-(1-propylpyrazol-3-yl)methanone (PubChem CID 110109389) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)piperazin-1-yl]-(1-propylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)piperazin-1-yl]-(1-propylpyrazol-3-yl)methanone
PubChem CID110109389
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name[2-(4-methoxyphenyl)piperazin-1-yl]-(1-propylpyrazol-3-yl)methanone
SMILESCCCn1ccc(C(=O)N2CCNCC2c2ccc(OC)cc2)n1
InChIInChI=1S/C18H24N4O2/c1-3-10-21-11-8-16(20-21)18(23)22-12-9-19-13-17(22)14-4-6-15(24-2)7-5-14/h4-8,11,17,19H,3,9-10,12-13H2,1-2H3
InChIKeyUUWJTSRFJQXEOR-UHFFFAOYSA-N
XLogP2.09
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1,3-dimethylpyrazol-4-yl)-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 124941836
(1-methylpyrazol-3-yl)-[(2S)-2-phenylpiperazin-1-yl]methanone
CID 125020826
isoquinolin-1-yl-[2-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 110109418
4-imidazol-1-yl-1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]butan-1-one
CID 124953102
[4-(4-methoxyphenyl)piperazin-1-yl]-(1-propylpyrazol-3-yl)methanone
CID 35325173
1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 124940745
3-(2-ethylimidazol-1-yl)-1-[2-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 110109410
(2-cyclopropylpyrimidin-5-yl)-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 124978298
[2-(4-methoxyphenyl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 50747341
2-(3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 124983690
2-(4-methoxyphenyl)-1-(2-phenylpiperazin-1-yl)ethanone
CID 110109133
1-[4-[(2S)-2-(4-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 125005845

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)piperazin-1-yl]-(1-propylpyrazol-3-yl)methanone?
The IUPAC name of [2-(4-methoxyphenyl)piperazin-1-yl]-(1-propylpyrazol-3-yl)methanone (CID 110109389) is [2-(4-methoxyphenyl)piperazin-1-yl]-(1-propylpyrazol-3-yl)methanone.
What is the SMILES notation for [2-(4-methoxyphenyl)piperazin-1-yl]-(1-propylpyrazol-3-yl)methanone?
The canonical SMILES for [2-(4-methoxyphenyl)piperazin-1-yl]-(1-propylpyrazol-3-yl)methanone is CCCn1ccc(C(=O)N2CCNCC2c2ccc(OC)cc2)n1.
What is the InChIKey of [2-(4-methoxyphenyl)piperazin-1-yl]-(1-propylpyrazol-3-yl)methanone?
The InChIKey is UUWJTSRFJQXEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-3-10-21-11-8-16(20-21)18(23)22-12-9-19-13-17(22)14-4-6-15(24-2)7-5-14/h4-8,11,17,19H,3,9-10,12-13H2,1-2H3.
What are the key properties of [2-(4-methoxyphenyl)piperazin-1-yl]-(1-propylpyrazol-3-yl)methanone?
[2-(4-methoxyphenyl)piperazin-1-yl]-(1-propylpyrazol-3-yl)methanone has a molecular weight of 328.42 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)piperazin-1-yl]-(1-propylpyrazol-3-yl)methanone is sourced from PubChem (CID 110109389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).