piperazin-1-yl(1H-pyrazol-4-yl)methanone

C8H12N4O — CID 43565571

IUPACpiperazin-1-yl(1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1)N1CCNCC1
InChIInChI=1S/C8H12N4O/c13-8(7-5-10-11-6-7)12-3-1-9-2-4-12/h5-6,9H,1-4H2,(H,10,11)
InChIKeySFBOJMLCSCJNBG-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.54
Rot. Bonds1

About piperazin-1-yl(1H-pyrazol-4-yl)methanone

piperazin-1-yl(1H-pyrazol-4-yl)methanone (PubChem CID 43565571) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is piperazin-1-yl(1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Namepiperazin-1-yl(1H-pyrazol-4-yl)methanone
PubChem CID43565571
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Namepiperazin-1-yl(1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1)N1CCNCC1
InChIInChI=1S/C8H12N4O/c13-8(7-5-10-11-6-7)12-3-1-9-2-4-12/h5-6,9H,1-4H2,(H,10,11)
InChIKeySFBOJMLCSCJNBG-UHFFFAOYSA-N
XLogP-0.54
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of piperazin-1-yl(1H-pyrazol-4-yl)methanone?
The IUPAC name of piperazin-1-yl(1H-pyrazol-4-yl)methanone (CID 43565571) is piperazin-1-yl(1H-pyrazol-4-yl)methanone.
What is the SMILES notation for piperazin-1-yl(1H-pyrazol-4-yl)methanone?
The canonical SMILES for piperazin-1-yl(1H-pyrazol-4-yl)methanone is O=C(c1cn[nH]c1)N1CCNCC1.
What is the InChIKey of piperazin-1-yl(1H-pyrazol-4-yl)methanone?
The InChIKey is SFBOJMLCSCJNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c13-8(7-5-10-11-6-7)12-3-1-9-2-4-12/h5-6,9H,1-4H2,(H,10,11).
What are the key properties of piperazin-1-yl(1H-pyrazol-4-yl)methanone?
piperazin-1-yl(1H-pyrazol-4-yl)methanone has a molecular weight of 180.21 g/mol, XLogP of -0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl(1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 43565571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).