4-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)-1-methylpiperazin-2-one

C12H21N5O — CID 66011757

IUPAC4-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)-1-methylpiperazin-2-one
SMILESCC(C)c1nn(C)c(N2CCN(C)C(=O)C2)c1N
InChIInChI=1S/C12H21N5O/c1-8(2)11-10(13)12(16(4)14-11)17-6-5-15(3)9(18)7-17/h8H,5-7,13H2,1-4H3
InChIKeyONCHJAZSKPHVKR-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.40
Rot. Bonds2

About 4-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)-1-methylpiperazin-2-one

4-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)-1-methylpiperazin-2-one (PubChem CID 66011757) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)-1-methylpiperazin-2-one
PubChem CID66011757
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name4-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)-1-methylpiperazin-2-one
SMILESCC(C)c1nn(C)c(N2CCN(C)C(=O)C2)c1N
InChIInChI=1S/C12H21N5O/c1-8(2)11-10(13)12(16(4)14-11)17-6-5-15(3)9(18)7-17/h8H,5-7,13H2,1-4H3
InChIKeyONCHJAZSKPHVKR-UHFFFAOYSA-N
XLogP0.40
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)-1-methylpiperazin-2-one?
The IUPAC name of 4-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)-1-methylpiperazin-2-one (CID 66011757) is 4-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)-1-methylpiperazin-2-one.
What is the SMILES notation for 4-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)-1-methylpiperazin-2-one?
The canonical SMILES for 4-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)-1-methylpiperazin-2-one is CC(C)c1nn(C)c(N2CCN(C)C(=O)C2)c1N.
What is the InChIKey of 4-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)-1-methylpiperazin-2-one?
The InChIKey is ONCHJAZSKPHVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-8(2)11-10(13)12(16(4)14-11)17-6-5-15(3)9(18)7-17/h8H,5-7,13H2,1-4H3.
What are the key properties of 4-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)-1-methylpiperazin-2-one?
4-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)-1-methylpiperazin-2-one has a molecular weight of 251.33 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)-1-methylpiperazin-2-one is sourced from PubChem (CID 66011757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).