1-(2,4-dimethoxyphenyl)-4-[2-(5-thiophen-2-yl-1H-pyrazol-4-yl)ethyl]piperazine

C21H26N4O2S — CID 139743839

IUPAC1-(2,4-dimethoxyphenyl)-4-[2-(5-thiophen-2-yl-1H-pyrazol-4-yl)ethyl]piperazine
SMILESCOc1ccc(N2CCN(CCc3cn[nH]c3-c3cccs3)CC2)c(OC)c1
InChIInChI=1S/C21H26N4O2S/c1-26-17-5-6-18(19(14-17)27-2)25-11-9-24(10-12-25)8-7-16-15-22-23-21(16)20-4-3-13-28-20/h3-6,13-15H,7-12H2,1-2H3,(H,22,23)
InChIKeyUYYREMBIAQYMTO-UHFFFAOYSA-N
MW398.53 g/mol
LogP3.52
Rot. Bonds7

About 1-(2,4-dimethoxyphenyl)-4-[2-(5-thiophen-2-yl-1H-pyrazol-4-yl)ethyl]piperazine

1-(2,4-dimethoxyphenyl)-4-[2-(5-thiophen-2-yl-1H-pyrazol-4-yl)ethyl]piperazine (PubChem CID 139743839) has the molecular formula C21H26N4O2S and a molecular weight of 398.53 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-4-[2-(5-thiophen-2-yl-1H-pyrazol-4-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-4-[2-(5-thiophen-2-yl-1H-pyrazol-4-yl)ethyl]piperazine
PubChem CID139743839
Molecular FormulaC21H26N4O2S
Molecular Weight398.53 g/mol
Exact Mass398.18
IUPAC Name1-(2,4-dimethoxyphenyl)-4-[2-(5-thiophen-2-yl-1H-pyrazol-4-yl)ethyl]piperazine
SMILESCOc1ccc(N2CCN(CCc3cn[nH]c3-c3cccs3)CC2)c(OC)c1
InChIInChI=1S/C21H26N4O2S/c1-26-17-5-6-18(19(14-17)27-2)25-11-9-24(10-12-25)8-7-16-15-22-23-21(16)20-4-3-13-28-20/h3-6,13-15H,7-12H2,1-2H3,(H,22,23)
InChIKeyUYYREMBIAQYMTO-UHFFFAOYSA-N
XLogP3.52
TPSA53.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 1-(2,4-dimethoxyphenyl)-4-[2-(5-thiophen-2-yl-1H-pyrazol-4-yl)ethyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-thiophen-2-ylpyrazol-1-yl]ethanol
CID 139743805
2-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-thiophen-2-ylpyrazol-1-yl]acetic acid;dihydrochloride
CID 139743809
4-[4-[2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethyl]-1H-pyrazol-5-yl]phenol;dihydrochloride
CID 139743727
4-(2-methoxyphenyl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-4-ol
CID 16673543
1-(2,4-dimethoxyphenyl)-3-(4-ethylpiperazin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110554730
2-methoxy-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline
CID 43757837
1-[2-(2,4-dimethoxyphenyl)ethyl]-4-pyridin-2-ylpiperazine
CID 21120027
2-methyl-5-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
CID 156610621
1-(2-methoxyphenyl)-4-[2-(2H-triazol-4-yl)ethyl]piperazine;hydrochloride
CID 142648010
3-(5-thiophen-2-yl-1H-pyrazol-4-yl)propanoic acid
CID 39096230
1-[4-[3-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]propoxy]-3-methoxyphenyl]ethanone
CID 154211827
1-(2,5-dimethoxyphenyl)sulfonyl-4-(2-thiophen-2-ylethyl)piperazine
CID 3836701

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-4-[2-(5-thiophen-2-yl-1H-pyrazol-4-yl)ethyl]piperazine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-4-[2-(5-thiophen-2-yl-1H-pyrazol-4-yl)ethyl]piperazine (CID 139743839) is 1-(2,4-dimethoxyphenyl)-4-[2-(5-thiophen-2-yl-1H-pyrazol-4-yl)ethyl]piperazine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-4-[2-(5-thiophen-2-yl-1H-pyrazol-4-yl)ethyl]piperazine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-4-[2-(5-thiophen-2-yl-1H-pyrazol-4-yl)ethyl]piperazine is COc1ccc(N2CCN(CCc3cn[nH]c3-c3cccs3)CC2)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-4-[2-(5-thiophen-2-yl-1H-pyrazol-4-yl)ethyl]piperazine?
The InChIKey is UYYREMBIAQYMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2S/c1-26-17-5-6-18(19(14-17)27-2)25-11-9-24(10-12-25)8-7-16-15-22-23-21(16)20-4-3-13-28-20/h3-6,13-15H,7-12H2,1-2H3,(H,22,23).
What are the key properties of 1-(2,4-dimethoxyphenyl)-4-[2-(5-thiophen-2-yl-1H-pyrazol-4-yl)ethyl]piperazine?
1-(2,4-dimethoxyphenyl)-4-[2-(5-thiophen-2-yl-1H-pyrazol-4-yl)ethyl]piperazine has a molecular weight of 398.53 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-4-[2-(5-thiophen-2-yl-1H-pyrazol-4-yl)ethyl]piperazine is sourced from PubChem (CID 139743839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).