(4-ethylpiperazin-4-ium-1-yl)-[3-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazol-5-yl]methanone

C24H29N4O2+ — CID 7218409

IUPAC(4-ethylpiperazin-4-ium-1-yl)-[3-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazol-5-yl]methanone
SMILESCC[NH+]1CCN(C(=O)c2cc(-c3cccc(OC)c3)nn2-c2cccc(C)c2)CC1
InChIInChI=1S/C24H28N4O2/c1-4-26-11-13-27(14-12-26)24(29)23-17-22(19-8-6-10-21(16-19)30-3)25-28(23)20-9-5-7-18(2)15-20/h5-10,15-17H,4,11-14H2,1-3H3/p+1
InChIKeyMWMNGYKUQVFILO-UHFFFAOYSA-O
MW405.52 g/mol
LogP2.22
Rot. Bonds5

About (4-ethylpiperazin-4-ium-1-yl)-[3-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazol-5-yl]methanone

(4-ethylpiperazin-4-ium-1-yl)-[3-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazol-5-yl]methanone (PubChem CID 7218409) has the molecular formula C24H29N4O2+ and a molecular weight of 405.52 g/mol. Its IUPAC name is (4-ethylpiperazin-4-ium-1-yl)-[3-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazol-5-yl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-4-ium-1-yl)-[3-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazol-5-yl]methanone
PubChem CID7218409
Molecular FormulaC24H29N4O2+
Molecular Weight405.52 g/mol
Exact Mass405.23
IUPAC Name(4-ethylpiperazin-4-ium-1-yl)-[3-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazol-5-yl]methanone
SMILESCC[NH+]1CCN(C(=O)c2cc(-c3cccc(OC)c3)nn2-c2cccc(C)c2)CC1
InChIInChI=1S/C24H28N4O2/c1-4-26-11-13-27(14-12-26)24(29)23-17-22(19-8-6-10-21(16-19)30-3)25-28(23)20-9-5-7-18(2)15-20/h5-10,15-17H,4,11-14H2,1-3H3/p+1
InChIKeyMWMNGYKUQVFILO-UHFFFAOYSA-O
XLogP2.22
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[3-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carbonyl]piperidine-3-carboxylate
CID 4664739
3-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxylate
CID 6946121
[1-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)pyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 5097237
[1-(2,4-dimethylphenyl)-3-(3-methoxyphenyl)pyrazol-5-yl]-morpholin-4-ylmethanone
CID 3879205
[3-(4-methoxyphenyl)-1-(3-methylphenyl)pyrazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 3919711
ethyl 1-[3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-5-carbonyl]piperidine-4-carboxylate
CID 42755460
(4-ethylpiperazin-4-ium-1-yl)-[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-5-yl]methanone
CID 7249121
3-(3-methoxyphenyl)-N-[(2S)-3-methylbutan-2-yl]-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 7361497
(4-benzylpiperazin-1-yl)-[3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]methanone
CID 42755463
[1-(4-chlorophenyl)-3-(3-methoxyphenyl)pyrazol-5-yl]-morpholin-4-ylmethanone
CID 5167647
ethyl 4-[3-(3-methoxyphenyl)-1-(4-nitrophenyl)pyrazole-5-carbonyl]piperazine-1-carboxylate
CID 4642190
[4-(3-chlorophenyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1-phenylpyrazol-5-yl]methanone
CID 4001728

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-4-ium-1-yl)-[3-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazol-5-yl]methanone?
The IUPAC name of (4-ethylpiperazin-4-ium-1-yl)-[3-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazol-5-yl]methanone (CID 7218409) is (4-ethylpiperazin-4-ium-1-yl)-[3-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazol-5-yl]methanone.
What is the SMILES notation for (4-ethylpiperazin-4-ium-1-yl)-[3-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazol-5-yl]methanone?
The canonical SMILES for (4-ethylpiperazin-4-ium-1-yl)-[3-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazol-5-yl]methanone is CC[NH+]1CCN(C(=O)c2cc(-c3cccc(OC)c3)nn2-c2cccc(C)c2)CC1.
What is the InChIKey of (4-ethylpiperazin-4-ium-1-yl)-[3-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazol-5-yl]methanone?
The InChIKey is MWMNGYKUQVFILO-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H28N4O2/c1-4-26-11-13-27(14-12-26)24(29)23-17-22(19-8-6-10-21(16-19)30-3)25-28(23)20-9-5-7-18(2)15-20/h5-10,15-17H,4,11-14H2,1-3H3/p+1.
What are the key properties of (4-ethylpiperazin-4-ium-1-yl)-[3-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazol-5-yl]methanone?
(4-ethylpiperazin-4-ium-1-yl)-[3-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazol-5-yl]methanone has a molecular weight of 405.52 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-4-ium-1-yl)-[3-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazol-5-yl]methanone is sourced from PubChem (CID 7218409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).