[4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone

C18H24N4O2 — CID 70752683

IUPAC[4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
SMILESCOc1ccc(N2CCN(C(=O)c3cc(C)[nH]n3)CC2(C)C)cc1
InChIInChI=1S/C18H24N4O2/c1-13-11-16(20-19-13)17(23)21-9-10-22(18(2,3)12-21)14-5-7-15(24-4)8-6-14/h5-8,11H,9-10,12H2,1-4H3,(H,19,20)
InChIKeyBWYDEMAJAACOJP-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.47
Rot. Bonds3

About [4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone

[4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone (PubChem CID 70752683) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is [4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
PubChem CID70752683
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name[4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
SMILESCOc1ccc(N2CCN(C(=O)c3cc(C)[nH]n3)CC2(C)C)cc1
InChIInChI=1S/C18H24N4O2/c1-13-11-16(20-19-13)17(23)21-9-10-22(18(2,3)12-21)14-5-7-15(24-4)8-6-14/h5-8,11H,9-10,12H2,1-4H3,(H,19,20)
InChIKeyBWYDEMAJAACOJP-UHFFFAOYSA-N
XLogP2.47
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-[4-(4-methoxyphenyl)-3,3-dimethylpiperazine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
CID 70709388
[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 110328604
[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 110328605
[4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 70770006
(4-ethylpiperazin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
CID 53017422
(5R)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(5-methyl-1H-pyrazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42289465
(5S)-2-(4-methylphenyl)-7-(5-methyl-1H-pyrazole-3-carbonyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 97398955
(2S)-2-[[4-(4-methoxyphenyl)-3,3-dimethylpiperazine-1-carbonyl]amino]butanedioic acid
CID 126432592
[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[4-(3-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]methanone
CID 131912533
(2,2-dimethyloxan-4-yl)-[4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]methanone
CID 70722230
(4-ethylsulfonylpiperazin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
CID 20910824
(5-methyl-1H-pyrazol-3-yl)-[4-(4-propan-2-yloxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 110328631

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone (CID 70752683) is [4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone is COc1ccc(N2CCN(C(=O)c3cc(C)[nH]n3)CC2(C)C)cc1.
What is the InChIKey of [4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
The InChIKey is BWYDEMAJAACOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13-11-16(20-19-13)17(23)21-9-10-22(18(2,3)12-21)14-5-7-15(24-4)8-6-14/h5-8,11H,9-10,12H2,1-4H3,(H,19,20).
What are the key properties of [4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
[4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone has a molecular weight of 328.42 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 70752683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).