[2-(4-ethylphenyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone;hydrochloride

C17H23ClN4O — CID 120741506

IUPAC[2-(4-ethylphenyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone;hydrochloride
SMILESCCc1ccc(C2CNCCN2C(=O)c2cnn(C)c2)cc1.Cl
InChIInChI=1S/C17H22N4O.ClH/c1-3-13-4-6-14(7-5-13)16-11-18-8-9-21(16)17(22)15-10-19-20(2)12-15;/h4-7,10,12,16,18H,3,8-9,11H2,1-2H3;1H
InChIKeyGUWPBMKDSWDGGR-UHFFFAOYSA-N
MW334.85 g/mol
LogP2.19
Rot. Bonds3

About [2-(4-ethylphenyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone;hydrochloride

[2-(4-ethylphenyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone;hydrochloride (PubChem CID 120741506) has the molecular formula C17H23ClN4O and a molecular weight of 334.85 g/mol. Its IUPAC name is [2-(4-ethylphenyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-(4-ethylphenyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone;hydrochloride
PubChem CID120741506
Molecular FormulaC17H23ClN4O
Molecular Weight334.85 g/mol
Exact Mass334.16
IUPAC Name[2-(4-ethylphenyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone;hydrochloride
SMILESCCc1ccc(C2CNCCN2C(=O)c2cnn(C)c2)cc1.Cl
InChIInChI=1S/C17H22N4O.ClH/c1-3-13-4-6-14(7-5-13)16-11-18-8-9-21(16)17(22)15-10-19-20(2)12-15;/h4-7,10,12,16,18H,3,8-9,11H2,1-2H3;1H
InChIKeyGUWPBMKDSWDGGR-UHFFFAOYSA-N
XLogP2.19
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-ethylphenyl)piperazin-1-yl]-(1-ethylpyrazol-4-yl)methanone
CID 120740889
[2-(4-ethylphenyl)piperazin-1-yl]-(1-pyridin-3-ylpyrazol-4-yl)methanone;dihydrochloride
CID 120740576
4-[2-(4-ethylphenyl)piperazine-1-carbonyl]benzamide;hydrochloride
CID 120740508
[2-(4-ethylphenyl)piperazin-1-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone
CID 120741073
[2-(4-ethylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride
CID 120740518
(3-chloro-4-pyridinyl)-[2-(4-ethylphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 120740616
[2-(4-ethylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 120740519
5-[2-(4-ethylphenyl)piperazine-1-carbonyl]-N-methylpyridine-2-carboxamide;hydrochloride
CID 120741592
[(3S,3aS,7aR)-3-(4-ethylphenyl)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 127252489
cyclohexyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120740582
4-[2-(4-ethylphenyl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide;hydrochloride
CID 120740299
cyclopentyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone
CID 120741701

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylphenyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone;hydrochloride?
The IUPAC name of [2-(4-ethylphenyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone;hydrochloride (CID 120741506) is [2-(4-ethylphenyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone;hydrochloride.
What is the SMILES notation for [2-(4-ethylphenyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone;hydrochloride?
The canonical SMILES for [2-(4-ethylphenyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone;hydrochloride is CCc1ccc(C2CNCCN2C(=O)c2cnn(C)c2)cc1.Cl.
What is the InChIKey of [2-(4-ethylphenyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone;hydrochloride?
The InChIKey is GUWPBMKDSWDGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O.ClH/c1-3-13-4-6-14(7-5-13)16-11-18-8-9-21(16)17(22)15-10-19-20(2)12-15;/h4-7,10,12,16,18H,3,8-9,11H2,1-2H3;1H.
What are the key properties of [2-(4-ethylphenyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone;hydrochloride?
[2-(4-ethylphenyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 2.19, 3 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-methylpyrazol-4-yl)methanone;hydrochloride is sourced from PubChem (CID 120741506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).