4-(4-amino-1-ethyl-3-methylpyrazole-5-carbonyl)-3-methylpiperazin-2-one

C12H19N5O2 — CID 66123902

IUPAC4-(4-amino-1-ethyl-3-methylpyrazole-5-carbonyl)-3-methylpiperazin-2-one
SMILESCCn1nc(C)c(N)c1C(=O)N1CCNC(=O)C1C
InChIInChI=1S/C12H19N5O2/c1-4-17-10(9(13)7(2)15-17)12(19)16-6-5-14-11(18)8(16)3/h8H,4-6,13H2,1-3H3,(H,14,18)
InChIKeyKQWZCIHYMHKIKT-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.25
Rot. Bonds2

About 4-(4-amino-1-ethyl-3-methylpyrazole-5-carbonyl)-3-methylpiperazin-2-one

4-(4-amino-1-ethyl-3-methylpyrazole-5-carbonyl)-3-methylpiperazin-2-one (PubChem CID 66123902) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-(4-amino-1-ethyl-3-methylpyrazole-5-carbonyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(4-amino-1-ethyl-3-methylpyrazole-5-carbonyl)-3-methylpiperazin-2-one
PubChem CID66123902
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name4-(4-amino-1-ethyl-3-methylpyrazole-5-carbonyl)-3-methylpiperazin-2-one
SMILESCCn1nc(C)c(N)c1C(=O)N1CCNC(=O)C1C
InChIInChI=1S/C12H19N5O2/c1-4-17-10(9(13)7(2)15-17)12(19)16-6-5-14-11(18)8(16)3/h8H,4-6,13H2,1-3H3,(H,14,18)
InChIKeyKQWZCIHYMHKIKT-UHFFFAOYSA-N
XLogP-0.25
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-1-ethyl-3-methylpyrazole-5-carbonyl)-3-methylpiperazin-2-one?
The IUPAC name of 4-(4-amino-1-ethyl-3-methylpyrazole-5-carbonyl)-3-methylpiperazin-2-one (CID 66123902) is 4-(4-amino-1-ethyl-3-methylpyrazole-5-carbonyl)-3-methylpiperazin-2-one.
What is the SMILES notation for 4-(4-amino-1-ethyl-3-methylpyrazole-5-carbonyl)-3-methylpiperazin-2-one?
The canonical SMILES for 4-(4-amino-1-ethyl-3-methylpyrazole-5-carbonyl)-3-methylpiperazin-2-one is CCn1nc(C)c(N)c1C(=O)N1CCNC(=O)C1C.
What is the InChIKey of 4-(4-amino-1-ethyl-3-methylpyrazole-5-carbonyl)-3-methylpiperazin-2-one?
The InChIKey is KQWZCIHYMHKIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-4-17-10(9(13)7(2)15-17)12(19)16-6-5-14-11(18)8(16)3/h8H,4-6,13H2,1-3H3,(H,14,18).
What are the key properties of 4-(4-amino-1-ethyl-3-methylpyrazole-5-carbonyl)-3-methylpiperazin-2-one?
4-(4-amino-1-ethyl-3-methylpyrazole-5-carbonyl)-3-methylpiperazin-2-one has a molecular weight of 265.32 g/mol, XLogP of -0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-1-ethyl-3-methylpyrazole-5-carbonyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 66123902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).