(1-benzyl-5-ethylpyrazol-4-yl)-(4-benzylpiperazin-1-yl)methanone

C24H28N4O — CID 78874147

IUPAC(1-benzyl-5-ethylpyrazol-4-yl)-(4-benzylpiperazin-1-yl)methanone
SMILESCCc1c(C(=O)N2CCN(Cc3ccccc3)CC2)cnn1Cc1ccccc1
InChIInChI=1S/C24H28N4O/c1-2-23-22(17-25-28(23)19-21-11-7-4-8-12-21)24(29)27-15-13-26(14-16-27)18-20-9-5-3-6-10-20/h3-12,17H,2,13-16,18-19H2,1H3
InChIKeyJPDQOQGPKISYTA-UHFFFAOYSA-N
MW388.52 g/mol
LogP3.45
Rot. Bonds6

About (1-benzyl-5-ethylpyrazol-4-yl)-(4-benzylpiperazin-1-yl)methanone

(1-benzyl-5-ethylpyrazol-4-yl)-(4-benzylpiperazin-1-yl)methanone (PubChem CID 78874147) 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-benzylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1-benzyl-5-ethylpyrazol-4-yl)-(4-benzylpiperazin-1-yl)methanone
PubChem CID78874147
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name(1-benzyl-5-ethylpyrazol-4-yl)-(4-benzylpiperazin-1-yl)methanone
SMILESCCc1c(C(=O)N2CCN(Cc3ccccc3)CC2)cnn1Cc1ccccc1
InChIInChI=1S/C24H28N4O/c1-2-23-22(17-25-28(23)19-21-11-7-4-8-12-21)24(29)27-15-13-26(14-16-27)18-20-9-5-3-6-10-20/h3-12,17H,2,13-16,18-19H2,1H3
InChIKeyJPDQOQGPKISYTA-UHFFFAOYSA-N
XLogP3.45
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-benzyl-5-ethylpyrazol-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 78872672
(1-benzyl-5-ethylpyrazol-4-yl)-piperazin-1-ylmethanone
CID 119402258
N-benzyl-2-[4-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperazin-1-yl]acetamide
CID 78873001
(1-benzyl-5-ethylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 78874237
(1-benzyl-5-ethylpyrazol-4-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 112823868
(1-benzyl-5-ethylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 78874273
(1-benzyl-5-ethylpyrazol-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 78873933
1-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperidine-4-carboxamide
CID 78874114
(1-benzyl-5-ethylpyrazol-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 78873065
1-[4-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperazin-1-yl]-3-cyclopentylpropan-1-one
CID 78872072
(3R)-1-(1-benzyl-5-ethylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 124610594
1-(1-benzyl-5-ethylpyrazole-4-carbonyl)-N-ethylpiperidine-4-carboxamide
CID 78905352

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-5-ethylpyrazol-4-yl)-(4-benzylpiperazin-1-yl)methanone?
The IUPAC name of (1-benzyl-5-ethylpyrazol-4-yl)-(4-benzylpiperazin-1-yl)methanone (CID 78874147) is (1-benzyl-5-ethylpyrazol-4-yl)-(4-benzylpiperazin-1-yl)methanone.
What is the SMILES notation for (1-benzyl-5-ethylpyrazol-4-yl)-(4-benzylpiperazin-1-yl)methanone?
The canonical SMILES for (1-benzyl-5-ethylpyrazol-4-yl)-(4-benzylpiperazin-1-yl)methanone is CCc1c(C(=O)N2CCN(Cc3ccccc3)CC2)cnn1Cc1ccccc1.
What is the InChIKey of (1-benzyl-5-ethylpyrazol-4-yl)-(4-benzylpiperazin-1-yl)methanone?
The InChIKey is JPDQOQGPKISYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-2-23-22(17-25-28(23)19-21-11-7-4-8-12-21)24(29)27-15-13-26(14-16-27)18-20-9-5-3-6-10-20/h3-12,17H,2,13-16,18-19H2,1H3.
What are the key properties of (1-benzyl-5-ethylpyrazol-4-yl)-(4-benzylpiperazin-1-yl)methanone?
(1-benzyl-5-ethylpyrazol-4-yl)-(4-benzylpiperazin-1-yl)methanone has a molecular weight of 388.52 g/mol, XLogP of 3.45, 6 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-benzylpiperazin-1-yl)methanone is sourced from PubChem (CID 78874147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).