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

C9H16N4O — CID 82505607

IUPAC3-methyl-4-(piperazin-1-ylmethyl)-1,4-dihydropyrazol-5-one
SMILESCC1=NNC(=O)C1CN1CCNCC1
InChIInChI=1S/C9H16N4O/c1-7-8(9(14)12-11-7)6-13-4-2-10-3-5-13/h8,10H,2-6H2,1H3,(H,12,14)
InChIKeyFHRKEIBBNIPLRO-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.99
Rot. Bonds2

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

3-methyl-4-(piperazin-1-ylmethyl)-1,4-dihydropyrazol-5-one (PubChem CID 82505607) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-methyl-4-(piperazin-1-ylmethyl)-1,4-dihydropyrazol-5-one.

Molecular Properties

Compound Name3-methyl-4-(piperazin-1-ylmethyl)-1,4-dihydropyrazol-5-one
PubChem CID82505607
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name3-methyl-4-(piperazin-1-ylmethyl)-1,4-dihydropyrazol-5-one
SMILESCC1=NNC(=O)C1CN1CCNCC1
InChIInChI=1S/C9H16N4O/c1-7-8(9(14)12-11-7)6-13-4-2-10-3-5-13/h8,10H,2-6H2,1H3,(H,12,14)
InChIKeyFHRKEIBBNIPLRO-UHFFFAOYSA-N
XLogP-0.99
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(piperazin-1-ylmethyl)-1,4-dihydropyrazol-5-one?
The IUPAC name of 3-methyl-4-(piperazin-1-ylmethyl)-1,4-dihydropyrazol-5-one (CID 82505607) is 3-methyl-4-(piperazin-1-ylmethyl)-1,4-dihydropyrazol-5-one.
What is the SMILES notation for 3-methyl-4-(piperazin-1-ylmethyl)-1,4-dihydropyrazol-5-one?
The canonical SMILES for 3-methyl-4-(piperazin-1-ylmethyl)-1,4-dihydropyrazol-5-one is CC1=NNC(=O)C1CN1CCNCC1.
What is the InChIKey of 3-methyl-4-(piperazin-1-ylmethyl)-1,4-dihydropyrazol-5-one?
The InChIKey is FHRKEIBBNIPLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-7-8(9(14)12-11-7)6-13-4-2-10-3-5-13/h8,10H,2-6H2,1H3,(H,12,14).
What are the key properties of 3-methyl-4-(piperazin-1-ylmethyl)-1,4-dihydropyrazol-5-one?
3-methyl-4-(piperazin-1-ylmethyl)-1,4-dihydropyrazol-5-one has a molecular weight of 196.25 g/mol, XLogP of -0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(piperazin-1-ylmethyl)-1,4-dihydropyrazol-5-one is sourced from PubChem (CID 82505607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).