(4-methoxy-2-methylphenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone

C20H22N4O2S — CID 75527408

IUPAC(4-methoxy-2-methylphenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(c3cc(-c4cccs4)[nH]n3)CC2)c(C)c1
InChIInChI=1S/C20H22N4O2S/c1-14-12-15(26-2)5-6-16(14)20(25)24-9-7-23(8-10-24)19-13-17(21-22-19)18-4-3-11-27-18/h3-6,11-13H,7-10H2,1-2H3,(H,21,22)
InChIKeyOVXBCZUWYAGRQE-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.42
Rot. Bonds4

About (4-methoxy-2-methylphenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone

(4-methoxy-2-methylphenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone (PubChem CID 75527408) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is (4-methoxy-2-methylphenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-methoxy-2-methylphenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone
PubChem CID75527408
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC Name(4-methoxy-2-methylphenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(c3cc(-c4cccs4)[nH]n3)CC2)c(C)c1
InChIInChI=1S/C20H22N4O2S/c1-14-12-15(26-2)5-6-16(14)20(25)24-9-7-23(8-10-24)19-13-17(21-22-19)18-4-3-11-27-18/h3-6,11-13H,7-10H2,1-2H3,(H,21,22)
InChIKeyOVXBCZUWYAGRQE-UHFFFAOYSA-N
XLogP3.42
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3,5-dimethoxyphenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone
CID 75527381
(4-chloro-2-methoxyphenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone
CID 75527424
(1-methylpyrrol-2-yl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone
CID 91887736
2-(4-ethoxyphenyl)-1-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]ethanone
CID 75528053
[4-(2-methylphenyl)piperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
CID 46856970
6-methoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 91818060
4-ethoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
CID 75528390
4-methoxy-2-methyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
CID 75528170
N-[4-[4-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperazine-1-carbonyl]phenyl]acetamide
CID 75528103
(3,4-dimethoxyphenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 18569372
(5-thiophen-2-yl-1H-pyrazol-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 90626568
(3-methoxyphenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)-1,4-diazepan-1-yl]methanone
CID 53180949

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2-methylphenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone?
The IUPAC name of (4-methoxy-2-methylphenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone (CID 75527408) is (4-methoxy-2-methylphenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-methoxy-2-methylphenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for (4-methoxy-2-methylphenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone is COc1ccc(C(=O)N2CCN(c3cc(-c4cccs4)[nH]n3)CC2)c(C)c1.
What is the InChIKey of (4-methoxy-2-methylphenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone?
The InChIKey is OVXBCZUWYAGRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-14-12-15(26-2)5-6-16(14)20(25)24-9-7-23(8-10-24)19-13-17(21-22-19)18-4-3-11-27-18/h3-6,11-13H,7-10H2,1-2H3,(H,21,22).
What are the key properties of (4-methoxy-2-methylphenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone?
(4-methoxy-2-methylphenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone has a molecular weight of 382.49 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2-methylphenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 75527408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).