[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanone

C26H26N4O3S — CID 5121699

IUPAC[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanone
SMILESCOc1ccc(-n2nc(-c3cccs3)cc2C(=O)N2CCN(c3ccccc3OC)CC2)cc1
InChIInChI=1S/C26H26N4O3S/c1-32-20-11-9-19(10-12-20)30-23(18-21(27-30)25-8-5-17-34-25)26(31)29-15-13-28(14-16-29)22-6-3-4-7-24(22)33-2/h3-12,17-18H,13-16H2,1-2H3
InChIKeyNQLWCBOUHHIRGB-UHFFFAOYSA-N
MW474.59 g/mol
LogP4.58
Rot. Bonds6

About [4-(2-methoxyphenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanone

[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanone (PubChem CID 5121699) has the molecular formula C26H26N4O3S and a molecular weight of 474.59 g/mol. Its IUPAC name is [4-(2-methoxyphenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanone.

Molecular Properties

Compound Name[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanone
PubChem CID5121699
Molecular FormulaC26H26N4O3S
Molecular Weight474.59 g/mol
Exact Mass474.17
IUPAC Name[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanone
SMILESCOc1ccc(-n2nc(-c3cccs3)cc2C(=O)N2CCN(c3ccccc3OC)CC2)cc1
InChIInChI=1S/C26H26N4O3S/c1-32-20-11-9-19(10-12-20)30-23(18-21(27-30)25-8-5-17-34-25)26(31)29-15-13-28(14-16-29)22-6-3-4-7-24(22)33-2/h3-12,17-18H,13-16H2,1-2H3
InChIKeyNQLWCBOUHHIRGB-UHFFFAOYSA-N
XLogP4.58
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.59
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[3-(3-methoxyphenyl)-1-phenylpyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4046397
[1-(4-chlorophenyl)-3-thiophen-2-ylpyrazol-5-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 5029102
1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazole-5-carboxylate
CID 6946083
[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(4-nitrophenyl)-3-phenylpyrazol-5-yl]methanone
CID 4240574
[1-(4-fluorophenyl)-3-thiophen-2-ylpyrazol-5-yl]-pyrrolidin-1-ylmethanone
CID 812780
[3-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 3612968
[1-(3-chlorophenyl)-3-thiophen-2-ylpyrazol-5-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 3941269
(4-hydroxypiperidin-1-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-5-yl)methanone
CID 9245712
[1-(4-fluorophenyl)-3-thiophen-2-ylpyrazol-5-yl]-piperidin-1-ylmethanone
CID 42761837
[1-(4-fluorophenyl)-3-(4-nitrophenyl)pyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 42762222
2-(4-methoxyphenyl)-6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4-methyl-1,2,4-triazine-3,5-dione
CID 53008450
[1-(3,4-dichlorophenyl)-3-(2-fluorophenyl)pyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4679362

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanone?
The IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanone (CID 5121699) is [4-(2-methoxyphenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanone.
What is the SMILES notation for [4-(2-methoxyphenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanone?
The canonical SMILES for [4-(2-methoxyphenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanone is COc1ccc(-n2nc(-c3cccs3)cc2C(=O)N2CCN(c3ccccc3OC)CC2)cc1.
What is the InChIKey of [4-(2-methoxyphenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanone?
The InChIKey is NQLWCBOUHHIRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3S/c1-32-20-11-9-19(10-12-20)30-23(18-21(27-30)25-8-5-17-34-25)26(31)29-15-13-28(14-16-29)22-6-3-4-7-24(22)33-2/h3-12,17-18H,13-16H2,1-2H3.
What are the key properties of [4-(2-methoxyphenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanone?
[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanone has a molecular weight of 474.59 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyphenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanone is sourced from PubChem (CID 5121699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).