4-(4-amino-1,3-dimethylpyrazol-5-yl)piperazin-2-one

C9H15N5O — CID 43553941

IUPAC4-(4-amino-1,3-dimethylpyrazol-5-yl)piperazin-2-one
SMILESCc1nn(C)c(N2CCNC(=O)C2)c1N
InChIInChI=1S/C9H15N5O/c1-6-8(10)9(13(2)12-6)14-4-3-11-7(15)5-14/h3-5,10H2,1-2H3,(H,11,15)
InChIKeyDOHQZMIMQMLMSD-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.75
Rot. Bonds1

About 4-(4-amino-1,3-dimethylpyrazol-5-yl)piperazin-2-one

4-(4-amino-1,3-dimethylpyrazol-5-yl)piperazin-2-one (PubChem CID 43553941) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-(4-amino-1,3-dimethylpyrazol-5-yl)piperazin-2-one.

Molecular Properties

Compound Name4-(4-amino-1,3-dimethylpyrazol-5-yl)piperazin-2-one
PubChem CID43553941
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name4-(4-amino-1,3-dimethylpyrazol-5-yl)piperazin-2-one
SMILESCc1nn(C)c(N2CCNC(=O)C2)c1N
InChIInChI=1S/C9H15N5O/c1-6-8(10)9(13(2)12-6)14-4-3-11-7(15)5-14/h3-5,10H2,1-2H3,(H,11,15)
InChIKeyDOHQZMIMQMLMSD-UHFFFAOYSA-N
XLogP-0.75
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-1,3-dimethylpyrazol-5-yl)piperazin-2-one?
The IUPAC name of 4-(4-amino-1,3-dimethylpyrazol-5-yl)piperazin-2-one (CID 43553941) is 4-(4-amino-1,3-dimethylpyrazol-5-yl)piperazin-2-one.
What is the SMILES notation for 4-(4-amino-1,3-dimethylpyrazol-5-yl)piperazin-2-one?
The canonical SMILES for 4-(4-amino-1,3-dimethylpyrazol-5-yl)piperazin-2-one is Cc1nn(C)c(N2CCNC(=O)C2)c1N.
What is the InChIKey of 4-(4-amino-1,3-dimethylpyrazol-5-yl)piperazin-2-one?
The InChIKey is DOHQZMIMQMLMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-6-8(10)9(13(2)12-6)14-4-3-11-7(15)5-14/h3-5,10H2,1-2H3,(H,11,15).
What are the key properties of 4-(4-amino-1,3-dimethylpyrazol-5-yl)piperazin-2-one?
4-(4-amino-1,3-dimethylpyrazol-5-yl)piperazin-2-one has a molecular weight of 209.25 g/mol, XLogP of -0.75, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-1,3-dimethylpyrazol-5-yl)piperazin-2-one is sourced from PubChem (CID 43553941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).