[4-(2-phenylethyl)piperazin-1-yl]-(1-phenyl-5-propylpyrazol-3-yl)methanone

C25H30N4O — CID 51347159

IUPAC[4-(2-phenylethyl)piperazin-1-yl]-(1-phenyl-5-propylpyrazol-3-yl)methanone
SMILESCCCc1cc(C(=O)N2CCN(CCc3ccccc3)CC2)nn1-c1ccccc1
InChIInChI=1S/C25H30N4O/c1-2-9-23-20-24(26-29(23)22-12-7-4-8-13-22)25(30)28-18-16-27(17-19-28)15-14-21-10-5-3-6-11-21/h3-8,10-13,20H,2,9,14-19H2,1H3
InChIKeyZJBVMOLTUVUHRM-UHFFFAOYSA-N
MW402.54 g/mol
LogP3.83
Rot. Bonds7

About [4-(2-phenylethyl)piperazin-1-yl]-(1-phenyl-5-propylpyrazol-3-yl)methanone

[4-(2-phenylethyl)piperazin-1-yl]-(1-phenyl-5-propylpyrazol-3-yl)methanone (PubChem CID 51347159) has the molecular formula C25H30N4O and a molecular weight of 402.54 g/mol. Its IUPAC name is [4-(2-phenylethyl)piperazin-1-yl]-(1-phenyl-5-propylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(2-phenylethyl)piperazin-1-yl]-(1-phenyl-5-propylpyrazol-3-yl)methanone
PubChem CID51347159
Molecular FormulaC25H30N4O
Molecular Weight402.54 g/mol
Exact Mass402.24
IUPAC Name[4-(2-phenylethyl)piperazin-1-yl]-(1-phenyl-5-propylpyrazol-3-yl)methanone
SMILESCCCc1cc(C(=O)N2CCN(CCc3ccccc3)CC2)nn1-c1ccccc1
InChIInChI=1S/C25H30N4O/c1-2-9-23-20-24(26-29(23)22-12-7-4-8-13-22)25(30)28-18-16-27(17-19-28)15-14-21-10-5-3-6-11-21/h3-8,10-13,20H,2,9,14-19H2,1H3
InChIKeyZJBVMOLTUVUHRM-UHFFFAOYSA-N
XLogP3.83
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]-(1-phenyl-5-propylpyrazol-3-yl)methanone
CID 166402671
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 71789354
4-[[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methyl]benzamide
CID 112842395
(5-methylimidazo[1,2-a]pyridin-2-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 31951738
N-[3-[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]propanamide
CID 51998908
(3-bromo-5-fluorophenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 55706709
methyl 4-(2-phenylethyl)piperazine-1-carboxylate
CID 1246166
N-[[4-cyano-1-(2-phenylethyl)piperidin-4-yl]methyl]-5-(2-methylpropyl)-1-phenylpyrazole-3-carboxamide
CID 56670312
1-(4-methoxycarbonylphenyl)-5-propylpyrazole-3-carboxylic acid
CID 82361807
(3,4-dimethoxyphenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 22107891
[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 170409292
(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 24641599

Frequently Asked Questions

What is the IUPAC name of [4-(2-phenylethyl)piperazin-1-yl]-(1-phenyl-5-propylpyrazol-3-yl)methanone?
The IUPAC name of [4-(2-phenylethyl)piperazin-1-yl]-(1-phenyl-5-propylpyrazol-3-yl)methanone (CID 51347159) is [4-(2-phenylethyl)piperazin-1-yl]-(1-phenyl-5-propylpyrazol-3-yl)methanone.
What is the SMILES notation for [4-(2-phenylethyl)piperazin-1-yl]-(1-phenyl-5-propylpyrazol-3-yl)methanone?
The canonical SMILES for [4-(2-phenylethyl)piperazin-1-yl]-(1-phenyl-5-propylpyrazol-3-yl)methanone is CCCc1cc(C(=O)N2CCN(CCc3ccccc3)CC2)nn1-c1ccccc1.
What is the InChIKey of [4-(2-phenylethyl)piperazin-1-yl]-(1-phenyl-5-propylpyrazol-3-yl)methanone?
The InChIKey is ZJBVMOLTUVUHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O/c1-2-9-23-20-24(26-29(23)22-12-7-4-8-13-22)25(30)28-18-16-27(17-19-28)15-14-21-10-5-3-6-11-21/h3-8,10-13,20H,2,9,14-19H2,1H3.
What are the key properties of [4-(2-phenylethyl)piperazin-1-yl]-(1-phenyl-5-propylpyrazol-3-yl)methanone?
[4-(2-phenylethyl)piperazin-1-yl]-(1-phenyl-5-propylpyrazol-3-yl)methanone has a molecular weight of 402.54 g/mol, XLogP of 3.83, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-phenylethyl)piperazin-1-yl]-(1-phenyl-5-propylpyrazol-3-yl)methanone is sourced from PubChem (CID 51347159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).