[3-(2-butoxyphenyl)-1H-pyrazol-5-yl]-(4-phenylpiperazin-1-yl)methanone

C24H28N4O2 — CID 71822697

IUPAC[3-(2-butoxyphenyl)-1H-pyrazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCCCCOc1ccccc1-c1cc(C(=O)N2CCN(c3ccccc3)CC2)[nH]n1
InChIInChI=1S/C24H28N4O2/c1-2-3-17-30-23-12-8-7-11-20(23)21-18-22(26-25-21)24(29)28-15-13-27(14-16-28)19-9-5-4-6-10-19/h4-12,18H,2-3,13-17H2,1H3,(H,25,26)
InChIKeyMSPWUEJSAOFEFM-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.22
Rot. Bonds7

About [3-(2-butoxyphenyl)-1H-pyrazol-5-yl]-(4-phenylpiperazin-1-yl)methanone

[3-(2-butoxyphenyl)-1H-pyrazol-5-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 71822697) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is [3-(2-butoxyphenyl)-1H-pyrazol-5-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-(2-butoxyphenyl)-1H-pyrazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID71822697
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name[3-(2-butoxyphenyl)-1H-pyrazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCCCCOc1ccccc1-c1cc(C(=O)N2CCN(c3ccccc3)CC2)[nH]n1
InChIInChI=1S/C24H28N4O2/c1-2-3-17-30-23-12-8-7-11-20(23)21-18-22(26-25-21)24(29)28-15-13-27(14-16-28)19-9-5-4-6-10-19/h4-12,18H,2-3,13-17H2,1H3,(H,25,26)
InChIKeyMSPWUEJSAOFEFM-UHFFFAOYSA-N
XLogP4.22
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-butoxyphenyl)-N-hydroxy-1H-pyrazole-5-carboxamide
CID 71601259
[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone
CID 46920414
3-(2-butoxyphenyl)-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide
CID 71822328
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 51109876
[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 29029295
[4-(4-chlorophenyl)piperazin-1-yl]-(3-ethoxy-1H-pyrazol-5-yl)methanone
CID 95754602
[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 78794978
[4-(2-ethoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
CID 51046466
(4-butoxy-3-methoxyphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 78781387
3-(2-butoxyphenyl)-N-(2,3-dihydro-1H-inden-1-yl)-1H-pyrazole-5-carboxamide
CID 71822324
[4-(4-methoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
CID 51046465
[1-(4-fluorophenyl)-4-propoxypyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 42109754

Frequently Asked Questions

What is the IUPAC name of [3-(2-butoxyphenyl)-1H-pyrazol-5-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [3-(2-butoxyphenyl)-1H-pyrazol-5-yl]-(4-phenylpiperazin-1-yl)methanone (CID 71822697) is [3-(2-butoxyphenyl)-1H-pyrazol-5-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-(2-butoxyphenyl)-1H-pyrazol-5-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [3-(2-butoxyphenyl)-1H-pyrazol-5-yl]-(4-phenylpiperazin-1-yl)methanone is CCCCOc1ccccc1-c1cc(C(=O)N2CCN(c3ccccc3)CC2)[nH]n1.
What is the InChIKey of [3-(2-butoxyphenyl)-1H-pyrazol-5-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is MSPWUEJSAOFEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-2-3-17-30-23-12-8-7-11-20(23)21-18-22(26-25-21)24(29)28-15-13-27(14-16-28)19-9-5-4-6-10-19/h4-12,18H,2-3,13-17H2,1H3,(H,25,26).
What are the key properties of [3-(2-butoxyphenyl)-1H-pyrazol-5-yl]-(4-phenylpiperazin-1-yl)methanone?
[3-(2-butoxyphenyl)-1H-pyrazol-5-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 404.51 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-butoxyphenyl)-1H-pyrazol-5-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 71822697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).