1-[1-[(4-methoxyphenyl)methyl]-4-methylpyrazol-5-yl]-3,3-dimethylpiperazin-2-one

C18H24N4O2 — CID 122573879

IUPAC1-[1-[(4-methoxyphenyl)methyl]-4-methylpyrazol-5-yl]-3,3-dimethylpiperazin-2-one
SMILESCOc1ccc(Cn2ncc(C)c2N2CCNC(C)(C)C2=O)cc1
InChIInChI=1S/C18H24N4O2/c1-13-11-20-22(12-14-5-7-15(24-4)8-6-14)16(13)21-10-9-19-18(2,3)17(21)23/h5-8,11,19H,9-10,12H2,1-4H3
InChIKeyIYPSRIKZWNENNT-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.96
Rot. Bonds4

About 1-[1-[(4-methoxyphenyl)methyl]-4-methylpyrazol-5-yl]-3,3-dimethylpiperazin-2-one

1-[1-[(4-methoxyphenyl)methyl]-4-methylpyrazol-5-yl]-3,3-dimethylpiperazin-2-one (PubChem CID 122573879) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-[1-[(4-methoxyphenyl)methyl]-4-methylpyrazol-5-yl]-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name1-[1-[(4-methoxyphenyl)methyl]-4-methylpyrazol-5-yl]-3,3-dimethylpiperazin-2-one
PubChem CID122573879
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-[1-[(4-methoxyphenyl)methyl]-4-methylpyrazol-5-yl]-3,3-dimethylpiperazin-2-one
SMILESCOc1ccc(Cn2ncc(C)c2N2CCNC(C)(C)C2=O)cc1
InChIInChI=1S/C18H24N4O2/c1-13-11-20-22(12-14-5-7-15(24-4)8-6-14)16(13)21-10-9-19-18(2,3)17(21)23/h5-8,11,19H,9-10,12H2,1-4H3
InChIKeyIYPSRIKZWNENNT-UHFFFAOYSA-N
XLogP1.96
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-[(4-methoxyphenyl)methyl]-4-methylpyrazol-5-yl]-3,3-dimethylpiperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

carbon dioxide;methyl 1-[(4-methoxyphenyl)methyl]-4-methylpyrazole-5-carboxylate
CID 159506500
3-bromo-5-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-d]pyridazin-4-one
CID 165392556
5-bromo-2-[(4-methoxyphenyl)methyl]-4-(methylamino)pyridazin-3-one
CID 46930441
1-[(4-methoxyphenyl)methyl]-6-methylpyrazolo[5,4-b]pyridine
CID 71699687
1-[1-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]-3,3-dimethylpiperidin-2-one
CID 134296947
4-[(4-methoxyphenyl)methyl]-6,6-dimethyl-1,4-diazepan-5-one
CID 115100594
1-[(4-methoxyphenyl)methyl]-5-methylindazol-4-amine
CID 146288251
formaldehyde;methanol;(2E)-2-[1-[1-[(4-methoxyphenyl)methyl]-4-methylpyrazol-5-yl]prop-2-enylidene]-1-methyl-1,3-diazinane
CID 163302712
4-hydroxy-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbaldehyde
CID 136922670
3-[(4-methoxyphenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 16577297
(5S)-9-[(4-methoxyphenyl)methyl]-2-(1-methylpyrazol-4-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 97372066
8-[(4-methoxyphenyl)methyl]-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one
CID 97449888

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-methoxyphenyl)methyl]-4-methylpyrazol-5-yl]-3,3-dimethylpiperazin-2-one?
The IUPAC name of 1-[1-[(4-methoxyphenyl)methyl]-4-methylpyrazol-5-yl]-3,3-dimethylpiperazin-2-one (CID 122573879) is 1-[1-[(4-methoxyphenyl)methyl]-4-methylpyrazol-5-yl]-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 1-[1-[(4-methoxyphenyl)methyl]-4-methylpyrazol-5-yl]-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 1-[1-[(4-methoxyphenyl)methyl]-4-methylpyrazol-5-yl]-3,3-dimethylpiperazin-2-one is COc1ccc(Cn2ncc(C)c2N2CCNC(C)(C)C2=O)cc1.
What is the InChIKey of 1-[1-[(4-methoxyphenyl)methyl]-4-methylpyrazol-5-yl]-3,3-dimethylpiperazin-2-one?
The InChIKey is IYPSRIKZWNENNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13-11-20-22(12-14-5-7-15(24-4)8-6-14)16(13)21-10-9-19-18(2,3)17(21)23/h5-8,11,19H,9-10,12H2,1-4H3.
What are the key properties of 1-[1-[(4-methoxyphenyl)methyl]-4-methylpyrazol-5-yl]-3,3-dimethylpiperazin-2-one?
1-[1-[(4-methoxyphenyl)methyl]-4-methylpyrazol-5-yl]-3,3-dimethylpiperazin-2-one has a molecular weight of 328.42 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-methoxyphenyl)methyl]-4-methylpyrazol-5-yl]-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 122573879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).