3-(4-methylpiperazine-1-carbonyl)-1,4-dihydropyrazol-5-one

C9H14N4O2 — CID 110467696

IUPAC3-(4-methylpiperazine-1-carbonyl)-1,4-dihydropyrazol-5-one
SMILESCN1CCN(C(=O)C2=NNC(=O)C2)CC1
InChIInChI=1S/C9H14N4O2/c1-12-2-4-13(5-3-12)9(15)7-6-8(14)11-10-7/h2-6H2,1H3,(H,11,14)
InChIKeyYBNSVAWCGFLMSW-UHFFFAOYSA-N
MW210.24 g/mol
LogP-1.36
Rot. Bonds1

About 3-(4-methylpiperazine-1-carbonyl)-1,4-dihydropyrazol-5-one

3-(4-methylpiperazine-1-carbonyl)-1,4-dihydropyrazol-5-one (PubChem CID 110467696) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 3-(4-methylpiperazine-1-carbonyl)-1,4-dihydropyrazol-5-one.

Molecular Properties

Compound Name3-(4-methylpiperazine-1-carbonyl)-1,4-dihydropyrazol-5-one
PubChem CID110467696
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name3-(4-methylpiperazine-1-carbonyl)-1,4-dihydropyrazol-5-one
SMILESCN1CCN(C(=O)C2=NNC(=O)C2)CC1
InChIInChI=1S/C9H14N4O2/c1-12-2-4-13(5-3-12)9(15)7-6-8(14)11-10-7/h2-6H2,1H3,(H,11,14)
InChIKeyYBNSVAWCGFLMSW-UHFFFAOYSA-N
XLogP-1.36
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-1.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazine-1-carbonyl)-1,4-dihydropyrazol-5-one?
The IUPAC name of 3-(4-methylpiperazine-1-carbonyl)-1,4-dihydropyrazol-5-one (CID 110467696) is 3-(4-methylpiperazine-1-carbonyl)-1,4-dihydropyrazol-5-one.
What is the SMILES notation for 3-(4-methylpiperazine-1-carbonyl)-1,4-dihydropyrazol-5-one?
The canonical SMILES for 3-(4-methylpiperazine-1-carbonyl)-1,4-dihydropyrazol-5-one is CN1CCN(C(=O)C2=NNC(=O)C2)CC1.
What is the InChIKey of 3-(4-methylpiperazine-1-carbonyl)-1,4-dihydropyrazol-5-one?
The InChIKey is YBNSVAWCGFLMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-12-2-4-13(5-3-12)9(15)7-6-8(14)11-10-7/h2-6H2,1H3,(H,11,14).
What are the key properties of 3-(4-methylpiperazine-1-carbonyl)-1,4-dihydropyrazol-5-one?
3-(4-methylpiperazine-1-carbonyl)-1,4-dihydropyrazol-5-one has a molecular weight of 210.24 g/mol, XLogP of -1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazine-1-carbonyl)-1,4-dihydropyrazol-5-one is sourced from PubChem (CID 110467696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).