2-(4-methylpyrazol-1-yl)-1-piperazin-1-ylethanone

C10H16N4O — CID 59535796

IUPAC2-(4-methylpyrazol-1-yl)-1-piperazin-1-ylethanone
SMILESCc1cnn(CC(=O)N2CCNCC2)c1
InChIInChI=1S/C10H16N4O/c1-9-6-12-14(7-9)8-10(15)13-4-2-11-3-5-13/h6-7,11H,2-5,8H2,1H3
InChIKeyMMHLIFMZNLAFOJ-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.38
Rot. Bonds2

About 2-(4-methylpyrazol-1-yl)-1-piperazin-1-ylethanone

2-(4-methylpyrazol-1-yl)-1-piperazin-1-ylethanone (PubChem CID 59535796) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(4-methylpyrazol-1-yl)-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-(4-methylpyrazol-1-yl)-1-piperazin-1-ylethanone
PubChem CID59535796
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name2-(4-methylpyrazol-1-yl)-1-piperazin-1-ylethanone
SMILESCc1cnn(CC(=O)N2CCNCC2)c1
InChIInChI=1S/C10H16N4O/c1-9-6-12-14(7-9)8-10(15)13-4-2-11-3-5-13/h6-7,11H,2-5,8H2,1H3
InChIKeyMMHLIFMZNLAFOJ-UHFFFAOYSA-N
XLogP-0.38
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpyrazol-1-yl)-1-piperazin-1-ylethanone?
The IUPAC name of 2-(4-methylpyrazol-1-yl)-1-piperazin-1-ylethanone (CID 59535796) is 2-(4-methylpyrazol-1-yl)-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-(4-methylpyrazol-1-yl)-1-piperazin-1-ylethanone?
The canonical SMILES for 2-(4-methylpyrazol-1-yl)-1-piperazin-1-ylethanone is Cc1cnn(CC(=O)N2CCNCC2)c1.
What is the InChIKey of 2-(4-methylpyrazol-1-yl)-1-piperazin-1-ylethanone?
The InChIKey is MMHLIFMZNLAFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-9-6-12-14(7-9)8-10(15)13-4-2-11-3-5-13/h6-7,11H,2-5,8H2,1H3.
What are the key properties of 2-(4-methylpyrazol-1-yl)-1-piperazin-1-ylethanone?
2-(4-methylpyrazol-1-yl)-1-piperazin-1-ylethanone has a molecular weight of 208.26 g/mol, XLogP of -0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpyrazol-1-yl)-1-piperazin-1-ylethanone is sourced from PubChem (CID 59535796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).