4-(4-amino-1-methyl-3-propylpyrazol-5-yl)piperazin-2-one

C11H19N5O — CID 66017461

IUPAC4-(4-amino-1-methyl-3-propylpyrazol-5-yl)piperazin-2-one
SMILESCCCc1nn(C)c(N2CCNC(=O)C2)c1N
InChIInChI=1S/C11H19N5O/c1-3-4-8-10(12)11(15(2)14-8)16-6-5-13-9(17)7-16/h3-7,12H2,1-2H3,(H,13,17)
InChIKeyCOQGIBCYTAGJLJ-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.11
Rot. Bonds3

About 4-(4-amino-1-methyl-3-propylpyrazol-5-yl)piperazin-2-one

4-(4-amino-1-methyl-3-propylpyrazol-5-yl)piperazin-2-one (PubChem CID 66017461) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 4-(4-amino-1-methyl-3-propylpyrazol-5-yl)piperazin-2-one.

Molecular Properties

Compound Name4-(4-amino-1-methyl-3-propylpyrazol-5-yl)piperazin-2-one
PubChem CID66017461
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name4-(4-amino-1-methyl-3-propylpyrazol-5-yl)piperazin-2-one
SMILESCCCc1nn(C)c(N2CCNC(=O)C2)c1N
InChIInChI=1S/C11H19N5O/c1-3-4-8-10(12)11(15(2)14-8)16-6-5-13-9(17)7-16/h3-7,12H2,1-2H3,(H,13,17)
InChIKeyCOQGIBCYTAGJLJ-UHFFFAOYSA-N
XLogP-0.11
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.11
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-methyl-3-propylpyrazol-5-yl)piperazin-2-one?
The IUPAC name of 4-(4-amino-1-methyl-3-propylpyrazol-5-yl)piperazin-2-one (CID 66017461) is 4-(4-amino-1-methyl-3-propylpyrazol-5-yl)piperazin-2-one.
What is the SMILES notation for 4-(4-amino-1-methyl-3-propylpyrazol-5-yl)piperazin-2-one?
The canonical SMILES for 4-(4-amino-1-methyl-3-propylpyrazol-5-yl)piperazin-2-one is CCCc1nn(C)c(N2CCNC(=O)C2)c1N.
What is the InChIKey of 4-(4-amino-1-methyl-3-propylpyrazol-5-yl)piperazin-2-one?
The InChIKey is COQGIBCYTAGJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-3-4-8-10(12)11(15(2)14-8)16-6-5-13-9(17)7-16/h3-7,12H2,1-2H3,(H,13,17).
What are the key properties of 4-(4-amino-1-methyl-3-propylpyrazol-5-yl)piperazin-2-one?
4-(4-amino-1-methyl-3-propylpyrazol-5-yl)piperazin-2-one has a molecular weight of 237.31 g/mol, XLogP of -0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-1-methyl-3-propylpyrazol-5-yl)piperazin-2-one is sourced from PubChem (CID 66017461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).