(3S)-3-ethyl-4-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)piperazin-2-one

C15H24N4O2 — CID 99123476

IUPAC(3S)-3-ethyl-4-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)piperazin-2-one
SMILESCC[C@H]1C(=O)NCCN1C(=O)c1cc(C(C)C)nn1CC
InChIInChI=1S/C15H24N4O2/c1-5-12-14(20)16-7-8-18(12)15(21)13-9-11(10(3)4)17-19(13)6-2/h9-10,12H,5-8H2,1-4H3,(H,16,20)/t12-/m0/s1
InChIKeySIXJXXALUAUJQN-LBPRGKRZSA-N
MW292.38 g/mol
LogP1.38
Rot. Bonds4

About (3S)-3-ethyl-4-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)piperazin-2-one

(3S)-3-ethyl-4-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)piperazin-2-one (PubChem CID 99123476) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is (3S)-3-ethyl-4-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name(3S)-3-ethyl-4-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)piperazin-2-one
PubChem CID99123476
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name(3S)-3-ethyl-4-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)piperazin-2-one
SMILESCC[C@H]1C(=O)NCCN1C(=O)c1cc(C(C)C)nn1CC
InChIInChI=1S/C15H24N4O2/c1-5-12-14(20)16-7-8-18(12)15(21)13-9-11(10(3)4)17-19(13)6-2/h9-10,12H,5-8H2,1-4H3,(H,16,20)/t12-/m0/s1
InChIKeySIXJXXALUAUJQN-LBPRGKRZSA-N
XLogP1.38
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-ethyl-5-methylpyrazole-3-carbonyl)-3-methylpiperazin-2-one
CID 63662892
(3,4-dihydroxypyrrolidin-1-yl)-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 106671806
(2R)-1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 78922034
3-ethyl-4-(3-methyl-2-propan-2-ylbutanoyl)piperazin-2-one
CID 114282285
4-(2-bromopropanoyl)-3-ethylpiperazin-2-one
CID 107905248
1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102775084
4-(2-propan-2-ylpyrazole-3-carbonyl)-3-propylpiperazin-2-one
CID 146085468
4-(2,5-dimethylthiophene-3-carbonyl)-3-ethylpiperazin-2-one
CID 63601701
3-ethyl-4-(quinoxaline-6-carbonyl)piperazin-2-one
CID 63602080
4-(1,5-dimethylindole-2-carbonyl)-3-ethylpiperazin-2-one
CID 46980097
3-ethyl-4-(2-methylbenzoyl)piperazin-2-one
CID 63601884
6-(2-ethyl-3-oxopiperazine-1-carbonyl)pyridine-2-carboxylic acid
CID 63603373

Frequently Asked Questions

What is the IUPAC name of (3S)-3-ethyl-4-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)piperazin-2-one?
The IUPAC name of (3S)-3-ethyl-4-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)piperazin-2-one (CID 99123476) is (3S)-3-ethyl-4-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)piperazin-2-one.
What is the SMILES notation for (3S)-3-ethyl-4-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)piperazin-2-one?
The canonical SMILES for (3S)-3-ethyl-4-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)piperazin-2-one is CC[C@H]1C(=O)NCCN1C(=O)c1cc(C(C)C)nn1CC.
What is the InChIKey of (3S)-3-ethyl-4-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)piperazin-2-one?
The InChIKey is SIXJXXALUAUJQN-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-5-12-14(20)16-7-8-18(12)15(21)13-9-11(10(3)4)17-19(13)6-2/h9-10,12H,5-8H2,1-4H3,(H,16,20)/t12-/m0/s1.
What are the key properties of (3S)-3-ethyl-4-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)piperazin-2-one?
(3S)-3-ethyl-4-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)piperazin-2-one has a molecular weight of 292.38 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethyl-4-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)piperazin-2-one is sourced from PubChem (CID 99123476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).