(1-benzyl-5-ethylpyrazol-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone

C22H26N4OS — CID 78872672

IUPAC(1-benzyl-5-ethylpyrazol-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
SMILESCCc1c(C(=O)N2CCN(Cc3cccs3)CC2)cnn1Cc1ccccc1
InChIInChI=1S/C22H26N4OS/c1-2-21-20(15-23-26(21)16-18-7-4-3-5-8-18)22(27)25-12-10-24(11-13-25)17-19-9-6-14-28-19/h3-9,14-15H,2,10-13,16-17H2,1H3
InChIKeyJJKOGRINNGBJJC-UHFFFAOYSA-N
MW394.54 g/mol
LogP3.51
Rot. Bonds6

About (1-benzyl-5-ethylpyrazol-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone

(1-benzyl-5-ethylpyrazol-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone (PubChem CID 78872672) has the molecular formula C22H26N4OS and a molecular weight of 394.54 g/mol. Its IUPAC name is (1-benzyl-5-ethylpyrazol-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-benzyl-5-ethylpyrazol-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
PubChem CID78872672
Molecular FormulaC22H26N4OS
Molecular Weight394.54 g/mol
Exact Mass394.18
IUPAC Name(1-benzyl-5-ethylpyrazol-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
SMILESCCc1c(C(=O)N2CCN(Cc3cccs3)CC2)cnn1Cc1ccccc1
InChIInChI=1S/C22H26N4OS/c1-2-21-20(15-23-26(21)16-18-7-4-3-5-8-18)22(27)25-12-10-24(11-13-25)17-19-9-6-14-28-19/h3-9,14-15H,2,10-13,16-17H2,1H3
InChIKeyJJKOGRINNGBJJC-UHFFFAOYSA-N
XLogP3.51
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1-benzyl-5-ethylpyrazol-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(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)-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-(2-methylphenyl)piperazin-1-yl]methanone
CID 112823868
1-benzyl-5-ethyl-N-methyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide
CID 78872749
1-methyl-5-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyrazole-4-carboxylic acid
CID 19623779
(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
(2-methylphenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 110709190
(1-benzyl-5-ethylpyrazol-4-yl)-(2-methylmorpholin-4-yl)methanone
CID 78873214

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-5-ethylpyrazol-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (1-benzyl-5-ethylpyrazol-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone (CID 78872672) is (1-benzyl-5-ethylpyrazol-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (1-benzyl-5-ethylpyrazol-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (1-benzyl-5-ethylpyrazol-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone is CCc1c(C(=O)N2CCN(Cc3cccs3)CC2)cnn1Cc1ccccc1.
What is the InChIKey of (1-benzyl-5-ethylpyrazol-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is JJKOGRINNGBJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4OS/c1-2-21-20(15-23-26(21)16-18-7-4-3-5-8-18)22(27)25-12-10-24(11-13-25)17-19-9-6-14-28-19/h3-9,14-15H,2,10-13,16-17H2,1H3.
What are the key properties of (1-benzyl-5-ethylpyrazol-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
(1-benzyl-5-ethylpyrazol-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 394.54 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-5-ethylpyrazol-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 78872672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).