1-[2-(4-ethylphenyl)piperazin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one

C19H26N4O — CID 120741039

IUPAC1-[2-(4-ethylphenyl)piperazin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one
SMILESCCc1ccc(C2CNCCN2C(=O)CCn2cc(C)cn2)cc1
InChIInChI=1S/C19H26N4O/c1-3-16-4-6-17(7-5-16)18-13-20-9-11-23(18)19(24)8-10-22-14-15(2)12-21-22/h4-7,12,14,18,20H,3,8-11,13H2,1-2H3
InChIKeyIHWQCVQPQXVKHM-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.32
Rot. Bonds5

About 1-[2-(4-ethylphenyl)piperazin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one

1-[2-(4-ethylphenyl)piperazin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one (PubChem CID 120741039) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-[2-(4-ethylphenyl)piperazin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[2-(4-ethylphenyl)piperazin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one
PubChem CID120741039
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name1-[2-(4-ethylphenyl)piperazin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one
SMILESCCc1ccc(C2CNCCN2C(=O)CCn2cc(C)cn2)cc1
InChIInChI=1S/C19H26N4O/c1-3-16-4-6-17(7-5-16)18-13-20-9-11-23(18)19(24)8-10-22-14-15(2)12-21-22/h4-7,12,14,18,20H,3,8-11,13H2,1-2H3
InChIKeyIHWQCVQPQXVKHM-UHFFFAOYSA-N
XLogP2.32
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-ethylphenyl)piperazin-1-yl]butan-1-one
CID 120740551
2-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 120741479
[2-(4-ethylphenyl)piperazin-1-yl]-(1-ethylpyrazol-4-yl)methanone
CID 120740889
4-[2-(4-ethylphenyl)piperazin-1-yl]-4-oxo-N-propylbutanamide
CID 120740417
[2-(4-ethylphenyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone;hydrochloride
CID 120741506
1-[2-(4-ethylphenyl)piperazin-1-yl]-3-(2-methyl-4-nitroimidazol-1-yl)propan-1-one;hydrochloride
CID 120740217
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 120741031
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[2-(4-ethylphenyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120740438
5-[2-(4-ethylphenyl)piperazin-1-yl]-N,N-dimethyl-5-oxopentanamide
CID 120740657
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 120741509
3-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione;hydrochloride
CID 120741684
1-[2-(4-ethylphenyl)piperazin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one;dihydrochloride
CID 120740568

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylphenyl)piperazin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one?
The IUPAC name of 1-[2-(4-ethylphenyl)piperazin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one (CID 120741039) is 1-[2-(4-ethylphenyl)piperazin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[2-(4-ethylphenyl)piperazin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one?
The canonical SMILES for 1-[2-(4-ethylphenyl)piperazin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one is CCc1ccc(C2CNCCN2C(=O)CCn2cc(C)cn2)cc1.
What is the InChIKey of 1-[2-(4-ethylphenyl)piperazin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one?
The InChIKey is IHWQCVQPQXVKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-3-16-4-6-17(7-5-16)18-13-20-9-11-23(18)19(24)8-10-22-14-15(2)12-21-22/h4-7,12,14,18,20H,3,8-11,13H2,1-2H3.
What are the key properties of 1-[2-(4-ethylphenyl)piperazin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one?
1-[2-(4-ethylphenyl)piperazin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one has a molecular weight of 326.44 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylphenyl)piperazin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one is sourced from PubChem (CID 120741039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).