(1-tert-butyl-5-methylpyrazol-4-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone

C20H28N4O2 — CID 120732907

IUPAC(1-tert-butyl-5-methylpyrazol-4-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1C1CNCCN1C(=O)c1cnn(C(C)(C)C)c1C
InChIInChI=1S/C20H28N4O2/c1-14-16(12-22-24(14)20(2,3)4)19(25)23-11-10-21-13-17(23)15-8-6-7-9-18(15)26-5/h6-9,12,17,21H,10-11,13H2,1-5H3
InChIKeyOQAZGOBZKSPEEB-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.74
Rot. Bonds3

About (1-tert-butyl-5-methylpyrazol-4-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone

(1-tert-butyl-5-methylpyrazol-4-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 120732907) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is (1-tert-butyl-5-methylpyrazol-4-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-tert-butyl-5-methylpyrazol-4-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID120732907
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name(1-tert-butyl-5-methylpyrazol-4-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1C1CNCCN1C(=O)c1cnn(C(C)(C)C)c1C
InChIInChI=1S/C20H28N4O2/c1-14-16(12-22-24(14)20(2,3)4)19(25)23-11-10-21-13-17(23)15-8-6-7-9-18(15)26-5/h6-9,12,17,21H,10-11,13H2,1-5H3
InChIKeyOQAZGOBZKSPEEB-UHFFFAOYSA-N
XLogP2.74
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-tert-butyl-5-methylpyrazol-4-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120735677
(2,5-dimethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120734041
(2,4-dimethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120735161
1H-indazol-4-yl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120733966
(2,4-dimethoxyphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120733692
[2-(2-methoxyphenyl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride
CID 120733114
[2-(2-methoxyphenyl)piperazin-1-yl]-(2-methyl-5-nitro-3-pyridinyl)methanone
CID 120733983
[2-(2-methoxyphenyl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride
CID 120732780
(3-aminopyrazin-2-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 120735210
(4-bromo-2-fluorophenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120735063
5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 120733049
[2-(4-fluorophenyl)triazol-4-yl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120734530

Frequently Asked Questions

What is the IUPAC name of (1-tert-butyl-5-methylpyrazol-4-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (1-tert-butyl-5-methylpyrazol-4-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone (CID 120732907) is (1-tert-butyl-5-methylpyrazol-4-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (1-tert-butyl-5-methylpyrazol-4-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (1-tert-butyl-5-methylpyrazol-4-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone is COc1ccccc1C1CNCCN1C(=O)c1cnn(C(C)(C)C)c1C.
What is the InChIKey of (1-tert-butyl-5-methylpyrazol-4-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is OQAZGOBZKSPEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-14-16(12-22-24(14)20(2,3)4)19(25)23-11-10-21-13-17(23)15-8-6-7-9-18(15)26-5/h6-9,12,17,21H,10-11,13H2,1-5H3.
What are the key properties of (1-tert-butyl-5-methylpyrazol-4-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone?
(1-tert-butyl-5-methylpyrazol-4-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 356.47 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butyl-5-methylpyrazol-4-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 120732907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).