[2-(4-ethylphenyl)piperazin-1-yl]-(1-ethylpyrazol-4-yl)methanone

C18H24N4O — CID 120740889

IUPAC[2-(4-ethylphenyl)piperazin-1-yl]-(1-ethylpyrazol-4-yl)methanone
SMILESCCc1ccc(C2CNCCN2C(=O)c2cnn(CC)c2)cc1
InChIInChI=1S/C18H24N4O/c1-3-14-5-7-15(8-6-14)17-12-19-9-10-22(17)18(23)16-11-20-21(4-2)13-16/h5-8,11,13,17,19H,3-4,9-10,12H2,1-2H3
InChIKeyMNUDLPUNNMYBRD-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.25
Rot. Bonds4

About [2-(4-ethylphenyl)piperazin-1-yl]-(1-ethylpyrazol-4-yl)methanone

[2-(4-ethylphenyl)piperazin-1-yl]-(1-ethylpyrazol-4-yl)methanone (PubChem CID 120740889) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is [2-(4-ethylphenyl)piperazin-1-yl]-(1-ethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[2-(4-ethylphenyl)piperazin-1-yl]-(1-ethylpyrazol-4-yl)methanone
PubChem CID120740889
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name[2-(4-ethylphenyl)piperazin-1-yl]-(1-ethylpyrazol-4-yl)methanone
SMILESCCc1ccc(C2CNCCN2C(=O)c2cnn(CC)c2)cc1
InChIInChI=1S/C18H24N4O/c1-3-14-5-7-15(8-6-14)17-12-19-9-10-22(17)18(23)16-11-20-21(4-2)13-16/h5-8,11,13,17,19H,3-4,9-10,12H2,1-2H3
InChIKeyMNUDLPUNNMYBRD-UHFFFAOYSA-N
XLogP2.25
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-ethylphenyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone;hydrochloride
CID 120741506
[2-(4-ethylphenyl)piperazin-1-yl]-(1-pyridin-3-ylpyrazol-4-yl)methanone;dihydrochloride
CID 120740576
(1-ethylpyrazol-4-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119471291
4-[2-(4-ethylphenyl)piperazine-1-carbonyl]benzamide;hydrochloride
CID 120740508
[2-(4-ethylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 120740519
[2-(4-ethylphenyl)piperazin-1-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone
CID 120741073
1-[2-(4-ethylphenyl)piperazin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one
CID 120741039
[2-(4-ethylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride
CID 120740518
5-[2-(4-ethylphenyl)piperazine-1-carbonyl]-N-methylpyridine-2-carboxamide;hydrochloride
CID 120741592
cyclopentyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone
CID 120741701
1-[2-(4-ethylphenyl)piperazin-1-yl]butan-1-one
CID 120740551
[2-(4-ethylphenyl)piperazin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone
CID 120741513

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylphenyl)piperazin-1-yl]-(1-ethylpyrazol-4-yl)methanone?
The IUPAC name of [2-(4-ethylphenyl)piperazin-1-yl]-(1-ethylpyrazol-4-yl)methanone (CID 120740889) is [2-(4-ethylphenyl)piperazin-1-yl]-(1-ethylpyrazol-4-yl)methanone.
What is the SMILES notation for [2-(4-ethylphenyl)piperazin-1-yl]-(1-ethylpyrazol-4-yl)methanone?
The canonical SMILES for [2-(4-ethylphenyl)piperazin-1-yl]-(1-ethylpyrazol-4-yl)methanone is CCc1ccc(C2CNCCN2C(=O)c2cnn(CC)c2)cc1.
What is the InChIKey of [2-(4-ethylphenyl)piperazin-1-yl]-(1-ethylpyrazol-4-yl)methanone?
The InChIKey is MNUDLPUNNMYBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-3-14-5-7-15(8-6-14)17-12-19-9-10-22(17)18(23)16-11-20-21(4-2)13-16/h5-8,11,13,17,19H,3-4,9-10,12H2,1-2H3.
What are the key properties of [2-(4-ethylphenyl)piperazin-1-yl]-(1-ethylpyrazol-4-yl)methanone?
[2-(4-ethylphenyl)piperazin-1-yl]-(1-ethylpyrazol-4-yl)methanone has a molecular weight of 312.42 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-ethylphenyl)piperazin-1-yl]-(1-ethylpyrazol-4-yl)methanone is sourced from PubChem (CID 120740889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).