3-methyl-4-(2-piperazin-1-ylethyl)-1,4-dihydropyrazol-5-one

C10H18N4O — CID 82508140

IUPAC3-methyl-4-(2-piperazin-1-ylethyl)-1,4-dihydropyrazol-5-one
SMILESCC1=NNC(=O)C1CCN1CCNCC1
InChIInChI=1S/C10H18N4O/c1-8-9(10(15)13-12-8)2-5-14-6-3-11-4-7-14/h9,11H,2-7H2,1H3,(H,13,15)
InChIKeyJYQJDNVUCCZYMW-UHFFFAOYSA-N
MW210.28 g/mol
LogP-0.60
Rot. Bonds3

About 3-methyl-4-(2-piperazin-1-ylethyl)-1,4-dihydropyrazol-5-one

3-methyl-4-(2-piperazin-1-ylethyl)-1,4-dihydropyrazol-5-one (PubChem CID 82508140) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-methyl-4-(2-piperazin-1-ylethyl)-1,4-dihydropyrazol-5-one.

Molecular Properties

Compound Name3-methyl-4-(2-piperazin-1-ylethyl)-1,4-dihydropyrazol-5-one
PubChem CID82508140
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name3-methyl-4-(2-piperazin-1-ylethyl)-1,4-dihydropyrazol-5-one
SMILESCC1=NNC(=O)C1CCN1CCNCC1
InChIInChI=1S/C10H18N4O/c1-8-9(10(15)13-12-8)2-5-14-6-3-11-4-7-14/h9,11H,2-7H2,1H3,(H,13,15)
InChIKeyJYQJDNVUCCZYMW-UHFFFAOYSA-N
XLogP-0.60
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2-piperazin-1-ylethyl)-1,4-dihydropyrazol-5-one?
The IUPAC name of 3-methyl-4-(2-piperazin-1-ylethyl)-1,4-dihydropyrazol-5-one (CID 82508140) is 3-methyl-4-(2-piperazin-1-ylethyl)-1,4-dihydropyrazol-5-one.
What is the SMILES notation for 3-methyl-4-(2-piperazin-1-ylethyl)-1,4-dihydropyrazol-5-one?
The canonical SMILES for 3-methyl-4-(2-piperazin-1-ylethyl)-1,4-dihydropyrazol-5-one is CC1=NNC(=O)C1CCN1CCNCC1.
What is the InChIKey of 3-methyl-4-(2-piperazin-1-ylethyl)-1,4-dihydropyrazol-5-one?
The InChIKey is JYQJDNVUCCZYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-8-9(10(15)13-12-8)2-5-14-6-3-11-4-7-14/h9,11H,2-7H2,1H3,(H,13,15).
What are the key properties of 3-methyl-4-(2-piperazin-1-ylethyl)-1,4-dihydropyrazol-5-one?
3-methyl-4-(2-piperazin-1-ylethyl)-1,4-dihydropyrazol-5-one has a molecular weight of 210.28 g/mol, XLogP of -0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2-piperazin-1-ylethyl)-1,4-dihydropyrazol-5-one is sourced from PubChem (CID 82508140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).