2-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-thiophen-2-ylpyrazol-1-yl]ethanol

C22H28N4O2S — CID 139743805

IUPAC2-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-thiophen-2-ylpyrazol-1-yl]ethanol
SMILESCOc1ccccc1N1CCN(CCc2cn(CCO)nc2-c2cccs2)CC1
InChIInChI=1S/C22H28N4O2S/c1-28-20-6-3-2-5-19(20)25-12-10-24(11-13-25)9-8-18-17-26(14-15-27)23-22(18)21-7-4-16-29-21/h2-7,16-17,27H,8-15H2,1H3
InChIKeyAZLIMMNQUCJKBJ-UHFFFAOYSA-N
MW412.56 g/mol
LogP2.98
Rot. Bonds8

About 2-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-thiophen-2-ylpyrazol-1-yl]ethanol

2-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-thiophen-2-ylpyrazol-1-yl]ethanol (PubChem CID 139743805) has the molecular formula C22H28N4O2S and a molecular weight of 412.56 g/mol. Its IUPAC name is 2-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-thiophen-2-ylpyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-thiophen-2-ylpyrazol-1-yl]ethanol
PubChem CID139743805
Molecular FormulaC22H28N4O2S
Molecular Weight412.56 g/mol
Exact Mass412.19
IUPAC Name2-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-thiophen-2-ylpyrazol-1-yl]ethanol
SMILESCOc1ccccc1N1CCN(CCc2cn(CCO)nc2-c2cccs2)CC1
InChIInChI=1S/C22H28N4O2S/c1-28-20-6-3-2-5-19(20)25-12-10-24(11-13-25)9-8-18-17-26(14-15-27)23-22(18)21-7-4-16-29-21/h2-7,16-17,27H,8-15H2,1H3
InChIKeyAZLIMMNQUCJKBJ-UHFFFAOYSA-N
XLogP2.98
TPSA53.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-thiophen-2-ylpyrazol-1-yl]acetic acid;dihydrochloride
CID 139743809
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol;dihydrochloride
CID 71671571
2-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]phenyl]acetic acid
CID 174365848
2-[4-[2-(2-methoxyphenyl)ethyl]piperazin-1-yl]ethanol
CID 94276618
1-(2-methoxyphenyl)-4-(thiophen-2-ylmethyl)piperazine
CID 763703
1-(2,4-dimethoxyphenyl)-4-[2-(5-thiophen-2-yl-1H-pyrazol-4-yl)ethyl]piperazine
CID 139743839
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide
CID 10617524
1-(2-methoxyphenyl)-4-[2-(triazol-2-yl)ethyl]piperazine
CID 155941923
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]thiophene-2-carboxamide
CID 10248783
N-methoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylbutan-1-imine
CID 85055232
1-(2-methoxyphenyl)-4-[2-(2H-triazol-4-yl)ethyl]piperazine;hydrochloride
CID 142648010
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,3-thiazol-2-amine
CID 89427881

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-thiophen-2-ylpyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-thiophen-2-ylpyrazol-1-yl]ethanol (CID 139743805) is 2-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-thiophen-2-ylpyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-thiophen-2-ylpyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-thiophen-2-ylpyrazol-1-yl]ethanol is COc1ccccc1N1CCN(CCc2cn(CCO)nc2-c2cccs2)CC1.
What is the InChIKey of 2-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-thiophen-2-ylpyrazol-1-yl]ethanol?
The InChIKey is AZLIMMNQUCJKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2S/c1-28-20-6-3-2-5-19(20)25-12-10-24(11-13-25)9-8-18-17-26(14-15-27)23-22(18)21-7-4-16-29-21/h2-7,16-17,27H,8-15H2,1H3.
What are the key properties of 2-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-thiophen-2-ylpyrazol-1-yl]ethanol?
2-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-thiophen-2-ylpyrazol-1-yl]ethanol has a molecular weight of 412.56 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-thiophen-2-ylpyrazol-1-yl]ethanol is sourced from PubChem (CID 139743805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).