5-(piperazin-1-ylmethyl)-1,2-dihydropyrazol-3-one

C8H14N4O — CID 82503957

IUPAC5-(piperazin-1-ylmethyl)-1,2-dihydropyrazol-3-one
SMILESO=c1cc(CN2CCNCC2)[nH][nH]1
InChIInChI=1S/C8H14N4O/c13-8-5-7(10-11-8)6-12-3-1-9-2-4-12/h5,9H,1-4,6H2,(H2,10,11,13)
InChIKeyIKCREVVQWIHXMY-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.89
Rot. Bonds2

About 5-(piperazin-1-ylmethyl)-1,2-dihydropyrazol-3-one

5-(piperazin-1-ylmethyl)-1,2-dihydropyrazol-3-one (PubChem CID 82503957) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 5-(piperazin-1-ylmethyl)-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-(piperazin-1-ylmethyl)-1,2-dihydropyrazol-3-one
PubChem CID82503957
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name5-(piperazin-1-ylmethyl)-1,2-dihydropyrazol-3-one
SMILESO=c1cc(CN2CCNCC2)[nH][nH]1
InChIInChI=1S/C8H14N4O/c13-8-5-7(10-11-8)6-12-3-1-9-2-4-12/h5,9H,1-4,6H2,(H2,10,11,13)
InChIKeyIKCREVVQWIHXMY-UHFFFAOYSA-N
XLogP-0.89
TPSA63.92 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(piperazin-1-ylmethyl)-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-(piperazin-1-ylmethyl)-1,2-dihydropyrazol-3-one (CID 82503957) is 5-(piperazin-1-ylmethyl)-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-(piperazin-1-ylmethyl)-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-(piperazin-1-ylmethyl)-1,2-dihydropyrazol-3-one is O=c1cc(CN2CCNCC2)[nH][nH]1.
What is the InChIKey of 5-(piperazin-1-ylmethyl)-1,2-dihydropyrazol-3-one?
The InChIKey is IKCREVVQWIHXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c13-8-5-7(10-11-8)6-12-3-1-9-2-4-12/h5,9H,1-4,6H2,(H2,10,11,13).
What are the key properties of 5-(piperazin-1-ylmethyl)-1,2-dihydropyrazol-3-one?
5-(piperazin-1-ylmethyl)-1,2-dihydropyrazol-3-one has a molecular weight of 182.23 g/mol, XLogP of -0.89, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperazin-1-ylmethyl)-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 82503957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).