(1-benzyl-5-ethylpyrazol-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone

C24H28N4O — CID 78873065

IUPAC(1-benzyl-5-ethylpyrazol-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
SMILESCCc1c(C(=O)N2CCN(c3cccc(C)c3)CC2)cnn1Cc1ccccc1
InChIInChI=1S/C24H28N4O/c1-3-23-22(17-25-28(23)18-20-9-5-4-6-10-20)24(29)27-14-12-26(13-15-27)21-11-7-8-19(2)16-21/h4-11,16-17H,3,12-15,18H2,1-2H3
InChIKeyQFTWMNBBQGAASI-UHFFFAOYSA-N
MW388.52 g/mol
LogP3.76
Rot. Bonds5

About (1-benzyl-5-ethylpyrazol-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone

(1-benzyl-5-ethylpyrazol-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone (PubChem CID 78873065) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is (1-benzyl-5-ethylpyrazol-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-benzyl-5-ethylpyrazol-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
PubChem CID78873065
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name(1-benzyl-5-ethylpyrazol-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
SMILESCCc1c(C(=O)N2CCN(c3cccc(C)c3)CC2)cnn1Cc1ccccc1
InChIInChI=1S/C24H28N4O/c1-3-23-22(17-25-28(23)18-20-9-5-4-6-10-20)24(29)27-14-12-26(13-15-27)21-11-7-8-19(2)16-21/h4-11,16-17H,3,12-15,18H2,1-2H3
InChIKeyQFTWMNBBQGAASI-UHFFFAOYSA-N
XLogP3.76
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-benzyl-5-ethylpyrazol-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 78873933
(1-benzyl-5-ethylpyrazol-4-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 112823868
(1-benzyl-5-ethylpyrazol-4-yl)-(4-benzylpiperazin-1-yl)methanone
CID 78874147
(1-benzyl-5-ethylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 78874237
(1-benzyl-5-ethylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 78874273
(1-benzyl-5-ethylpyrazol-4-yl)-piperazin-1-ylmethanone
CID 119402258
[1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 31853159
1-[4-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperazin-1-yl]-3-cyclopentylpropan-1-one
CID 78872072
1-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperidine-4-carboxamide
CID 78874114
(3R)-1-(1-benzyl-5-ethylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 124610594
N-benzyl-2-[4-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperazin-1-yl]acetamide
CID 78873001
(1-benzyl-5-ethylpyrazol-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 78872672

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-5-ethylpyrazol-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The IUPAC name of (1-benzyl-5-ethylpyrazol-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone (CID 78873065) is (1-benzyl-5-ethylpyrazol-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (1-benzyl-5-ethylpyrazol-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (1-benzyl-5-ethylpyrazol-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone is CCc1c(C(=O)N2CCN(c3cccc(C)c3)CC2)cnn1Cc1ccccc1.
What is the InChIKey of (1-benzyl-5-ethylpyrazol-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The InChIKey is QFTWMNBBQGAASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-3-23-22(17-25-28(23)18-20-9-5-4-6-10-20)24(29)27-14-12-26(13-15-27)21-11-7-8-19(2)16-21/h4-11,16-17H,3,12-15,18H2,1-2H3.
What are the key properties of (1-benzyl-5-ethylpyrazol-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone?
(1-benzyl-5-ethylpyrazol-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone has a molecular weight of 388.52 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-5-ethylpyrazol-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 78873065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).