[4-(2-ethylphenyl)piperazin-1-yl]-[2-(3-methoxyphenyl)-5-methylpyrazol-3-yl]methanone

C24H28N4O2 — CID 10069792

IUPAC[4-(2-ethylphenyl)piperazin-1-yl]-[2-(3-methoxyphenyl)-5-methylpyrazol-3-yl]methanone
SMILESCCc1ccccc1N1CCN(C(=O)c2cc(C)nn2-c2cccc(OC)c2)CC1
InChIInChI=1S/C24H28N4O2/c1-4-19-8-5-6-11-22(19)26-12-14-27(15-13-26)24(29)23-16-18(2)25-28(23)20-9-7-10-21(17-20)30-3/h5-11,16-17H,4,12-15H2,1-3H3
InChIKeyNLHDFZOQQVYJIV-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.71
Rot. Bonds5

About [4-(2-ethylphenyl)piperazin-1-yl]-[2-(3-methoxyphenyl)-5-methylpyrazol-3-yl]methanone

[4-(2-ethylphenyl)piperazin-1-yl]-[2-(3-methoxyphenyl)-5-methylpyrazol-3-yl]methanone (PubChem CID 10069792) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is [4-(2-ethylphenyl)piperazin-1-yl]-[2-(3-methoxyphenyl)-5-methylpyrazol-3-yl]methanone.

Molecular Properties

Compound Name[4-(2-ethylphenyl)piperazin-1-yl]-[2-(3-methoxyphenyl)-5-methylpyrazol-3-yl]methanone
PubChem CID10069792
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name[4-(2-ethylphenyl)piperazin-1-yl]-[2-(3-methoxyphenyl)-5-methylpyrazol-3-yl]methanone
SMILESCCc1ccccc1N1CCN(C(=O)c2cc(C)nn2-c2cccc(OC)c2)CC1
InChIInChI=1S/C24H28N4O2/c1-4-19-8-5-6-11-22(19)26-12-14-27(15-13-26)24(29)23-16-18(2)25-28(23)20-9-7-10-21(17-20)30-3/h5-11,16-17H,4,12-15H2,1-3H3
InChIKeyNLHDFZOQQVYJIV-UHFFFAOYSA-N
XLogP3.71
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-methoxyphenyl)piperazin-1-yl]-(5-methyl-2-phenylpyrazol-3-yl)methanone
CID 10090944
(5-methyl-2-phenylpyrazol-3-yl)-(4-naphthalen-1-ylpiperazin-1-yl)methanone
CID 10250156
[3-(3-methoxyphenyl)-1-phenylpyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4046397
[4-(2-fluorophenyl)piperazin-1-yl]-[1-(3-methoxyphenyl)-5-methylpyrazol-3-yl]methanone
CID 110373209
[4-(3,4-dimethylphenyl)piperazin-1-yl]-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]methanone
CID 10001274
[4-(3-chlorophenyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1-phenylpyrazol-5-yl]methanone
CID 4001728
[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 10411191
[3-(2-chlorophenyl)-1-(3-methylphenyl)pyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 3878165
(2-ethyl-1,3-thiazol-5-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 48572330
[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 10252224
(4-ethylpiperazin-4-ium-1-yl)-[3-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazol-5-yl]methanone
CID 7218409
[4-(4-chlorophenyl)piperazin-1-yl]-[2-(3-fluorophenyl)-5-methylpyrazol-3-yl]methanone
CID 90972119

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethylphenyl)piperazin-1-yl]-[2-(3-methoxyphenyl)-5-methylpyrazol-3-yl]methanone?
The IUPAC name of [4-(2-ethylphenyl)piperazin-1-yl]-[2-(3-methoxyphenyl)-5-methylpyrazol-3-yl]methanone (CID 10069792) is [4-(2-ethylphenyl)piperazin-1-yl]-[2-(3-methoxyphenyl)-5-methylpyrazol-3-yl]methanone.
What is the SMILES notation for [4-(2-ethylphenyl)piperazin-1-yl]-[2-(3-methoxyphenyl)-5-methylpyrazol-3-yl]methanone?
The canonical SMILES for [4-(2-ethylphenyl)piperazin-1-yl]-[2-(3-methoxyphenyl)-5-methylpyrazol-3-yl]methanone is CCc1ccccc1N1CCN(C(=O)c2cc(C)nn2-c2cccc(OC)c2)CC1.
What is the InChIKey of [4-(2-ethylphenyl)piperazin-1-yl]-[2-(3-methoxyphenyl)-5-methylpyrazol-3-yl]methanone?
The InChIKey is NLHDFZOQQVYJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-4-19-8-5-6-11-22(19)26-12-14-27(15-13-26)24(29)23-16-18(2)25-28(23)20-9-7-10-21(17-20)30-3/h5-11,16-17H,4,12-15H2,1-3H3.
What are the key properties of [4-(2-ethylphenyl)piperazin-1-yl]-[2-(3-methoxyphenyl)-5-methylpyrazol-3-yl]methanone?
[4-(2-ethylphenyl)piperazin-1-yl]-[2-(3-methoxyphenyl)-5-methylpyrazol-3-yl]methanone has a molecular weight of 404.51 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethylphenyl)piperazin-1-yl]-[2-(3-methoxyphenyl)-5-methylpyrazol-3-yl]methanone is sourced from PubChem (CID 10069792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).