5-methyl-4-piperazin-1-yl-1,2-dihydropyrazol-3-one

C8H14N4O — CID 82654876

IUPAC5-methyl-4-piperazin-1-yl-1,2-dihydropyrazol-3-one
SMILESCc1[nH][nH]c(=O)c1N1CCNCC1
InChIInChI=1S/C8H14N4O/c1-6-7(8(13)11-10-6)12-4-2-9-3-5-12/h9H,2-5H2,1H3,(H2,10,11,13)
InChIKeyJRBPGXXWIBSHHG-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.58
Rot. Bonds1

About 5-methyl-4-piperazin-1-yl-1,2-dihydropyrazol-3-one

5-methyl-4-piperazin-1-yl-1,2-dihydropyrazol-3-one (PubChem CID 82654876) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 5-methyl-4-piperazin-1-yl-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-methyl-4-piperazin-1-yl-1,2-dihydropyrazol-3-one
PubChem CID82654876
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name5-methyl-4-piperazin-1-yl-1,2-dihydropyrazol-3-one
SMILESCc1[nH][nH]c(=O)c1N1CCNCC1
InChIInChI=1S/C8H14N4O/c1-6-7(8(13)11-10-6)12-4-2-9-3-5-12/h9H,2-5H2,1H3,(H2,10,11,13)
InChIKeyJRBPGXXWIBSHHG-UHFFFAOYSA-N
XLogP-0.58
TPSA63.92 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-Methyl-4-(4-methylpiperazin-1-yl)-1,2-dihydropyrazol-3-one
CID 89850925
4-(dimethylamino)-2-ethyl-3-methyl-1H-pyrazol-5-one
CID 141798100
CID 153879247
CID 153879247
(2Z)-2-amino-2-(1-aminopiperazin-2-ylidene)-N-methylacetamide
CID 166871978
5-(Piperazin-1-ylmethyl)-1,2-dihydropyrazol-3-one
CID 82503957
5-(Piperazine-1-carbonyl)-1,2-dihydropyrazol-3-one
CID 82505544
2,5-dimethyl-4-piperazin-1-yl-1H-pyrazol-3-one
CID 84071457

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-piperazin-1-yl-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-methyl-4-piperazin-1-yl-1,2-dihydropyrazol-3-one (CID 82654876) is 5-methyl-4-piperazin-1-yl-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-methyl-4-piperazin-1-yl-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-methyl-4-piperazin-1-yl-1,2-dihydropyrazol-3-one is Cc1[nH][nH]c(=O)c1N1CCNCC1.
What is the InChIKey of 5-methyl-4-piperazin-1-yl-1,2-dihydropyrazol-3-one?
The InChIKey is JRBPGXXWIBSHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-6-7(8(13)11-10-6)12-4-2-9-3-5-12/h9H,2-5H2,1H3,(H2,10,11,13).
What are the key properties of 5-methyl-4-piperazin-1-yl-1,2-dihydropyrazol-3-one?
5-methyl-4-piperazin-1-yl-1,2-dihydropyrazol-3-one has a molecular weight of 182.23 g/mol, XLogP of -0.58, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-piperazin-1-yl-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 82654876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).