(3S)-3-ethyl-4-(2-methylpyrazole-3-carbonyl)piperazin-2-one

C11H16N4O2 — CID 99123478

IUPAC(3S)-3-ethyl-4-(2-methylpyrazole-3-carbonyl)piperazin-2-one
SMILESCC[C@H]1C(=O)NCCN1C(=O)c1ccnn1C
InChIInChI=1S/C11H16N4O2/c1-3-8-10(16)12-6-7-15(8)11(17)9-4-5-13-14(9)2/h4-5,8H,3,6-7H2,1-2H3,(H,12,16)/t8-/m0/s1
InChIKeyRLIGTVFXBLIITF-QMMMGPOBSA-N
MW236.27 g/mol
LogP-0.23
Rot. Bonds2

About (3S)-3-ethyl-4-(2-methylpyrazole-3-carbonyl)piperazin-2-one

(3S)-3-ethyl-4-(2-methylpyrazole-3-carbonyl)piperazin-2-one (PubChem CID 99123478) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is (3S)-3-ethyl-4-(2-methylpyrazole-3-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name(3S)-3-ethyl-4-(2-methylpyrazole-3-carbonyl)piperazin-2-one
PubChem CID99123478
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name(3S)-3-ethyl-4-(2-methylpyrazole-3-carbonyl)piperazin-2-one
SMILESCC[C@H]1C(=O)NCCN1C(=O)c1ccnn1C
InChIInChI=1S/C11H16N4O2/c1-3-8-10(16)12-6-7-15(8)11(17)9-4-5-13-14(9)2/h4-5,8H,3,6-7H2,1-2H3,(H,12,16)/t8-/m0/s1
InChIKeyRLIGTVFXBLIITF-QMMMGPOBSA-N
XLogP-0.23
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-ethyl-4-(2-methylpyrazole-3-carbonyl)piperazin-2-one?
The IUPAC name of (3S)-3-ethyl-4-(2-methylpyrazole-3-carbonyl)piperazin-2-one (CID 99123478) is (3S)-3-ethyl-4-(2-methylpyrazole-3-carbonyl)piperazin-2-one.
What is the SMILES notation for (3S)-3-ethyl-4-(2-methylpyrazole-3-carbonyl)piperazin-2-one?
The canonical SMILES for (3S)-3-ethyl-4-(2-methylpyrazole-3-carbonyl)piperazin-2-one is CC[C@H]1C(=O)NCCN1C(=O)c1ccnn1C.
What is the InChIKey of (3S)-3-ethyl-4-(2-methylpyrazole-3-carbonyl)piperazin-2-one?
The InChIKey is RLIGTVFXBLIITF-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-3-8-10(16)12-6-7-15(8)11(17)9-4-5-13-14(9)2/h4-5,8H,3,6-7H2,1-2H3,(H,12,16)/t8-/m0/s1.
What are the key properties of (3S)-3-ethyl-4-(2-methylpyrazole-3-carbonyl)piperazin-2-one?
(3S)-3-ethyl-4-(2-methylpyrazole-3-carbonyl)piperazin-2-one has a molecular weight of 236.27 g/mol, XLogP of -0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethyl-4-(2-methylpyrazole-3-carbonyl)piperazin-2-one is sourced from PubChem (CID 99123478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).