[5-(4-butoxyphenyl)-1H-pyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

C23H27N5O2 — CID 71824894

IUPAC[5-(4-butoxyphenyl)-1H-pyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCCCCOc1ccc(-c2[nH]ncc2C(=O)N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C23H27N5O2/c1-2-3-16-30-19-9-7-18(8-10-19)22-20(17-25-26-22)23(29)28-14-12-27(13-15-28)21-6-4-5-11-24-21/h4-11,17H,2-3,12-16H2,1H3,(H,25,26)
InChIKeyGFNWRJSZIQEFIB-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.61
Rot. Bonds7

About [5-(4-butoxyphenyl)-1H-pyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

[5-(4-butoxyphenyl)-1H-pyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 71824894) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is [5-(4-butoxyphenyl)-1H-pyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(4-butoxyphenyl)-1H-pyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID71824894
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name[5-(4-butoxyphenyl)-1H-pyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCCCCOc1ccc(-c2[nH]ncc2C(=O)N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C23H27N5O2/c1-2-3-16-30-19-9-7-18(8-10-19)22-20(17-25-26-22)23(29)28-14-12-27(13-15-28)21-6-4-5-11-24-21/h4-11,17H,2-3,12-16H2,1H3,(H,25,26)
InChIKeyGFNWRJSZIQEFIB-UHFFFAOYSA-N
XLogP3.61
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1H-indazol-4-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 166207015
(5-phenyl-1H-pyrazol-4-yl)-(4-pyridazin-3-yl-1,4-diazepan-1-yl)methanone
CID 154747999
(4-methylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 60712084
(4-butylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 17217519
[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 20953309
(1-benzyl-5-ethylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 78874273
(2,5-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 925511
2-(4-ethoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 52892178
N-(3-phenoxypropyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108883277
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
N-[3-(4-fluorophenoxy)propyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111220277
N-ethyl-N'-(3-phenoxypropyl)-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111219550

Frequently Asked Questions

What is the IUPAC name of [5-(4-butoxyphenyl)-1H-pyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [5-(4-butoxyphenyl)-1H-pyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 71824894) is [5-(4-butoxyphenyl)-1H-pyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(4-butoxyphenyl)-1H-pyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(4-butoxyphenyl)-1H-pyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is CCCCOc1ccc(-c2[nH]ncc2C(=O)N2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of [5-(4-butoxyphenyl)-1H-pyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is GFNWRJSZIQEFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-2-3-16-30-19-9-7-18(8-10-19)22-20(17-25-26-22)23(29)28-14-12-27(13-15-28)21-6-4-5-11-24-21/h4-11,17H,2-3,12-16H2,1H3,(H,25,26).
What are the key properties of [5-(4-butoxyphenyl)-1H-pyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
[5-(4-butoxyphenyl)-1H-pyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 405.50 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-butoxyphenyl)-1H-pyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 71824894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).