(2,4-dimethylpiperazin-1-yl)-[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]methanone

C18H24N4O2 — CID 71877392

IUPAC(2,4-dimethylpiperazin-1-yl)-[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]methanone
SMILESCCOc1ccccc1-c1cc(C(=O)N2CCN(C)CC2C)[nH]n1
InChIInChI=1S/C18H24N4O2/c1-4-24-17-8-6-5-7-14(17)15-11-16(20-19-15)18(23)22-10-9-21(3)12-13(22)2/h5-8,11,13H,4,9-10,12H2,1-3H3,(H,19,20)
InChIKeyBILGNGDYNYFOMI-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.25
Rot. Bonds4

About (2,4-dimethylpiperazin-1-yl)-[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]methanone

(2,4-dimethylpiperazin-1-yl)-[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]methanone (PubChem CID 71877392) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (2,4-dimethylpiperazin-1-yl)-[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethylpiperazin-1-yl)-[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]methanone
PubChem CID71877392
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(2,4-dimethylpiperazin-1-yl)-[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]methanone
SMILESCCOc1ccccc1-c1cc(C(=O)N2CCN(C)CC2C)[nH]n1
InChIInChI=1S/C18H24N4O2/c1-4-24-17-8-6-5-7-14(17)15-11-16(20-19-15)18(23)22-10-9-21(3)12-13(22)2/h5-8,11,13H,4,9-10,12H2,1-3H3,(H,19,20)
InChIKeyBILGNGDYNYFOMI-UHFFFAOYSA-N
XLogP2.25
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]-[(1R)-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 51495377
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 51109876
[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]-[2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]methanone
CID 110076008
[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 129457738
[(2S)-2,4-dimethylpiperazin-1-yl]-[4-(2-methoxyphenyl)-1H-pyrrol-3-yl]methanone
CID 97093981
3-(2-ethoxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 82445826
[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 78794978
2-[[3-(2-ethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]propanediamide
CID 56796065
[3-(2-butoxyphenyl)-1H-pyrazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 71822697
3-(2-ethoxyphenyl)-N'-(1-phenylethenyl)-1H-pyrazole-5-carbohydrazide
CID 4283520
1-(2,4-dimethylpiperazin-1-yl)-2-phenoxyethanone
CID 110707763
1-[(1S,4R,9S,10R)-10-methyl-3-[3-(2-propoxyphenyl)-1H-pyrazole-5-carbonyl]-3,12-diazatricyclo[7.2.1.04,10]dodecan-12-yl]ethanone
CID 110141277

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylpiperazin-1-yl)-[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]methanone?
The IUPAC name of (2,4-dimethylpiperazin-1-yl)-[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]methanone (CID 71877392) is (2,4-dimethylpiperazin-1-yl)-[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]methanone.
What is the SMILES notation for (2,4-dimethylpiperazin-1-yl)-[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]methanone?
The canonical SMILES for (2,4-dimethylpiperazin-1-yl)-[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]methanone is CCOc1ccccc1-c1cc(C(=O)N2CCN(C)CC2C)[nH]n1.
What is the InChIKey of (2,4-dimethylpiperazin-1-yl)-[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]methanone?
The InChIKey is BILGNGDYNYFOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-4-24-17-8-6-5-7-14(17)15-11-16(20-19-15)18(23)22-10-9-21(3)12-13(22)2/h5-8,11,13H,4,9-10,12H2,1-3H3,(H,19,20).
What are the key properties of (2,4-dimethylpiperazin-1-yl)-[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]methanone?
(2,4-dimethylpiperazin-1-yl)-[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]methanone has a molecular weight of 328.42 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylpiperazin-1-yl)-[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]methanone is sourced from PubChem (CID 71877392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).