4-(2-ethyl-5-methylpyrazole-3-carbonyl)-3-methylpiperazin-2-one

C12H18N4O2 — CID 63662892

IUPAC4-(2-ethyl-5-methylpyrazole-3-carbonyl)-3-methylpiperazin-2-one
SMILESCCn1nc(C)cc1C(=O)N1CCNC(=O)C1C
InChIInChI=1S/C12H18N4O2/c1-4-16-10(7-8(2)14-16)12(18)15-6-5-13-11(17)9(15)3/h7,9H,4-6H2,1-3H3,(H,13,17)
InChIKeyYYAZABICFQLHRK-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.17
Rot. Bonds2

About 4-(2-ethyl-5-methylpyrazole-3-carbonyl)-3-methylpiperazin-2-one

4-(2-ethyl-5-methylpyrazole-3-carbonyl)-3-methylpiperazin-2-one (PubChem CID 63662892) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-(2-ethyl-5-methylpyrazole-3-carbonyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-ethyl-5-methylpyrazole-3-carbonyl)-3-methylpiperazin-2-one
PubChem CID63662892
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name4-(2-ethyl-5-methylpyrazole-3-carbonyl)-3-methylpiperazin-2-one
SMILESCCn1nc(C)cc1C(=O)N1CCNC(=O)C1C
InChIInChI=1S/C12H18N4O2/c1-4-16-10(7-8(2)14-16)12(18)15-6-5-13-11(17)9(15)3/h7,9H,4-6H2,1-3H3,(H,13,17)
InChIKeyYYAZABICFQLHRK-UHFFFAOYSA-N
XLogP0.17
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-ethyl-5-methylpyrazol-3-yl)-(2-methylpiperazin-1-yl)methanone
CID 66120880
4-(4-amino-1-ethyl-3-methylpyrazole-5-carbonyl)-3-methylpiperazin-2-one
CID 66123902
(3S)-3-ethyl-4-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)piperazin-2-one
CID 99123476
aziridin-1-yl-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 127002241
(2-ethyl-5-methylpyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone
CID 66121470
(2-ethyl-5-methylpyrazol-3-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95292643
3-methyl-4-(2,4,6-trimethylbenzoyl)piperazin-2-one
CID 63605892
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 115491804
1-(2-ethyl-5-methylpyrazole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
CID 156587130
4-(3,4-dimethylbenzoyl)-3-methylpiperazin-2-one
CID 63373754
(2-ethyl-5-methylpyrazol-3-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 66122618
(3-amino-4-methylpyrrolidin-1-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 103575707

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-5-methylpyrazole-3-carbonyl)-3-methylpiperazin-2-one?
The IUPAC name of 4-(2-ethyl-5-methylpyrazole-3-carbonyl)-3-methylpiperazin-2-one (CID 63662892) is 4-(2-ethyl-5-methylpyrazole-3-carbonyl)-3-methylpiperazin-2-one.
What is the SMILES notation for 4-(2-ethyl-5-methylpyrazole-3-carbonyl)-3-methylpiperazin-2-one?
The canonical SMILES for 4-(2-ethyl-5-methylpyrazole-3-carbonyl)-3-methylpiperazin-2-one is CCn1nc(C)cc1C(=O)N1CCNC(=O)C1C.
What is the InChIKey of 4-(2-ethyl-5-methylpyrazole-3-carbonyl)-3-methylpiperazin-2-one?
The InChIKey is YYAZABICFQLHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-4-16-10(7-8(2)14-16)12(18)15-6-5-13-11(17)9(15)3/h7,9H,4-6H2,1-3H3,(H,13,17).
What are the key properties of 4-(2-ethyl-5-methylpyrazole-3-carbonyl)-3-methylpiperazin-2-one?
4-(2-ethyl-5-methylpyrazole-3-carbonyl)-3-methylpiperazin-2-one has a molecular weight of 250.30 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-5-methylpyrazole-3-carbonyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 63662892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).