2-[4-[(1-phenylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol

C21H26N4OS — CID 45198717

IUPAC2-[4-[(1-phenylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol
SMILESOCCC1CN(Cc2cnn(-c3ccccc3)c2)CCN1Cc1cccs1
InChIInChI=1S/C21H26N4OS/c26-11-8-20-16-23(9-10-24(20)17-21-7-4-12-27-21)14-18-13-22-25(15-18)19-5-2-1-3-6-19/h1-7,12-13,15,20,26H,8-11,14,16-17H2
InChIKeyPIKHURISBNKFJW-UHFFFAOYSA-N
MW382.53 g/mol
LogP3.00
Rot. Bonds7

About 2-[4-[(1-phenylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol

2-[4-[(1-phenylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol (PubChem CID 45198717) has the molecular formula C21H26N4OS and a molecular weight of 382.53 g/mol. Its IUPAC name is 2-[4-[(1-phenylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(1-phenylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol
PubChem CID45198717
Molecular FormulaC21H26N4OS
Molecular Weight382.53 g/mol
Exact Mass382.18
IUPAC Name2-[4-[(1-phenylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol
SMILESOCCC1CN(Cc2cnn(-c3ccccc3)c2)CCN1Cc1cccs1
InChIInChI=1S/C21H26N4OS/c26-11-8-20-16-23(9-10-24(20)17-21-7-4-12-27-21)14-18-13-22-25(15-18)19-5-2-1-3-6-19/h1-7,12-13,15,20,26H,8-11,14,16-17H2
InChIKeyPIKHURISBNKFJW-UHFFFAOYSA-N
XLogP3.00
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[(1-phenylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol with MolForge

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Related Compounds

[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methanol
CID 740214
(1-{[3-(2,5-dimethyl-3-thienyl)-1-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl}-3-piperidinyl)methanol
CID 16187215
1-{[3-(2,5-dimethyl-3-thienyl)-1-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl}piperidin-4-ol
CID 16188414
1-{[3-(2,5-dimethyl-3-thienyl)-1-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl}-4-(methoxymethyl)piperidine
CID 16190127
2-[4-{[1-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-1-(3-thienylmethyl)-2-piperazinyl]ethanol
CID 16191802
1-{[3-(2,5-dimethyl-3-thienyl)-1-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl}-3-piperidinol
CID 16189223
2-[4-{[1-(2-chlorophenyl)-1H-pyrazol-4-yl]methyl}-1-(3-thienylmethyl)piperazin-2-yl]ethanol
CID 16190773
2-[[3-(1H-pyrazol-1-yl)benzyl](2-thienylmethyl)amino]butan-1-ol
CID 46985211
(E)-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-N-piperidin-1-ylmethanimine
CID 6904794
1-Morpholin-4-yl-3-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylamino]propan-2-ol
CID 16258988
2-[4-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-thienylmethyl)-2-piperazinyl]ethanol
CID 45241706
2-[[1-(4-Fluorophenyl)pyrazol-4-yl]methyl-(thiophen-2-ylmethyl)amino]ethanol
CID 16677817

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-phenylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-[(1-phenylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol (CID 45198717) is 2-[4-[(1-phenylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-[(1-phenylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-[(1-phenylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol is OCCC1CN(Cc2cnn(-c3ccccc3)c2)CCN1Cc1cccs1.
What is the InChIKey of 2-[4-[(1-phenylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol?
The InChIKey is PIKHURISBNKFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4OS/c26-11-8-20-16-23(9-10-24(20)17-21-7-4-12-27-21)14-18-13-22-25(15-18)19-5-2-1-3-6-19/h1-7,12-13,15,20,26H,8-11,14,16-17H2.
What are the key properties of 2-[4-[(1-phenylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol?
2-[4-[(1-phenylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol has a molecular weight of 382.53 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-phenylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 45198717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).