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

C19H25N3O2 — CID 134296947

IUPAC1-[1-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]-3,3-dimethylpiperidin-2-one
SMILESCOc1ccc(Cn2nc(N3CCCC(C)(C)C3=O)cc2C)cc1
InChIInChI=1S/C19H25N3O2/c1-14-12-17(21-11-5-10-19(2,3)18(21)23)20-22(14)13-15-6-8-16(24-4)9-7-15/h6-9,12H,5,10-11,13H2,1-4H3
InChIKeyQTKOQZAGHGVNIW-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.40
Rot. Bonds4

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

1-[1-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]-3,3-dimethylpiperidin-2-one (PubChem CID 134296947) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-[1-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]-3,3-dimethylpiperidin-2-one.

Molecular Properties

Compound Name1-[1-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]-3,3-dimethylpiperidin-2-one
PubChem CID134296947
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-[1-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]-3,3-dimethylpiperidin-2-one
SMILESCOc1ccc(Cn2nc(N3CCCC(C)(C)C3=O)cc2C)cc1
InChIInChI=1S/C19H25N3O2/c1-14-12-17(21-11-5-10-19(2,3)18(21)23)20-22(14)13-15-6-8-16(24-4)9-7-15/h6-9,12H,5,10-11,13H2,1-4H3
InChIKeyQTKOQZAGHGVNIW-UHFFFAOYSA-N
XLogP3.40
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-methoxyphenyl)methyl]-5-methylpyrazole-3-carboxylic acid
CID 82295045
3-amino-1-[(4-methoxyphenyl)methyl]-3-methylpiperidin-2-one
CID 129101227
2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-amine
CID 23377749
1-[1-[(4-methoxyphenyl)methyl]-4-methylpyrazol-5-yl]-3,3-dimethylpiperazin-2-one
CID 122573879
[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 48981634
3-[[2-(3,5-dimethylpyrazol-1-yl)ethylamino]methyl]-1-[(4-methoxyphenyl)methyl]-7,8-dihydro-6H-cyclopenta[g]quinolin-2-one
CID 42434660
4-[(4-methoxyphenyl)methyl]-6,6-dimethyl-1,4-diazepan-5-one
CID 115100594
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 127033831
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-methoxyphenyl)benzamide
CID 48980527
3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 130201562
N-(1-benzyl-5-methylpyrazol-3-yl)-3-(4-methoxyphenyl)propanamide
CID 17052773
3-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate
CID 86675590

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]-3,3-dimethylpiperidin-2-one?
The IUPAC name of 1-[1-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]-3,3-dimethylpiperidin-2-one (CID 134296947) is 1-[1-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]-3,3-dimethylpiperidin-2-one.
What is the SMILES notation for 1-[1-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]-3,3-dimethylpiperidin-2-one?
The canonical SMILES for 1-[1-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]-3,3-dimethylpiperidin-2-one is COc1ccc(Cn2nc(N3CCCC(C)(C)C3=O)cc2C)cc1.
What is the InChIKey of 1-[1-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]-3,3-dimethylpiperidin-2-one?
The InChIKey is QTKOQZAGHGVNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14-12-17(21-11-5-10-19(2,3)18(21)23)20-22(14)13-15-6-8-16(24-4)9-7-15/h6-9,12H,5,10-11,13H2,1-4H3.
What are the key properties of 1-[1-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]-3,3-dimethylpiperidin-2-one?
1-[1-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]-3,3-dimethylpiperidin-2-one has a molecular weight of 327.43 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]-3,3-dimethylpiperidin-2-one is sourced from PubChem (CID 134296947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).