3-ethyl-5-(1H-pyrazol-4-yl)piperazin-2-one

C9H14N4O — CID 82401063

IUPAC3-ethyl-5-(1H-pyrazol-4-yl)piperazin-2-one
SMILESCCC1NC(c2cn[nH]c2)CNC1=O
InChIInChI=1S/C9H14N4O/c1-2-7-9(14)10-5-8(13-7)6-3-11-12-4-6/h3-4,7-8,13H,2,5H2,1H3,(H,10,14)(H,11,12)
InChIKeyUETXDEWYRVCCHG-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.05
Rot. Bonds2

About 3-ethyl-5-(1H-pyrazol-4-yl)piperazin-2-one

3-ethyl-5-(1H-pyrazol-4-yl)piperazin-2-one (PubChem CID 82401063) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 3-ethyl-5-(1H-pyrazol-4-yl)piperazin-2-one.

Molecular Properties

Compound Name3-ethyl-5-(1H-pyrazol-4-yl)piperazin-2-one
PubChem CID82401063
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name3-ethyl-5-(1H-pyrazol-4-yl)piperazin-2-one
SMILESCCC1NC(c2cn[nH]c2)CNC1=O
InChIInChI=1S/C9H14N4O/c1-2-7-9(14)10-5-8(13-7)6-3-11-12-4-6/h3-4,7-8,13H,2,5H2,1H3,(H,10,14)(H,11,12)
InChIKeyUETXDEWYRVCCHG-UHFFFAOYSA-N
XLogP-0.05
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-methyl-1H-pyrazol-4-yl)piperazin-2-one
CID 62349814
2-(1H-pyrazol-4-yl)piperazine
CID 131060075
6-(1H-pyrazol-4-yl)piperazin-2-one dihydrochloride
CID 165455541
2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-N-propan-2-ylacetamide
CID 43663763
2-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2-pyrrolidin-1-ylpropanamide
CID 119069590
N-[2-Methyl-2-(4-methylpiperazin-1-YL)propyl]-3-(1H-pyrazol-4-YL)propanamide
CID 124206842
6-(1H-Pyrazol-4-yl)piperazin-2-one
CID 139343789
2,2,2-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103855822
2,2,3,3-tetrafluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 103856370
4,4,4-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]butanamide
CID 103856494
3,3,3-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 103856620
2-amino-3,3,3-trifluoro-2-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 106212822

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(1H-pyrazol-4-yl)piperazin-2-one?
The IUPAC name of 3-ethyl-5-(1H-pyrazol-4-yl)piperazin-2-one (CID 82401063) is 3-ethyl-5-(1H-pyrazol-4-yl)piperazin-2-one.
What is the SMILES notation for 3-ethyl-5-(1H-pyrazol-4-yl)piperazin-2-one?
The canonical SMILES for 3-ethyl-5-(1H-pyrazol-4-yl)piperazin-2-one is CCC1NC(c2cn[nH]c2)CNC1=O.
What is the InChIKey of 3-ethyl-5-(1H-pyrazol-4-yl)piperazin-2-one?
The InChIKey is UETXDEWYRVCCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-2-7-9(14)10-5-8(13-7)6-3-11-12-4-6/h3-4,7-8,13H,2,5H2,1H3,(H,10,14)(H,11,12).
What are the key properties of 3-ethyl-5-(1H-pyrazol-4-yl)piperazin-2-one?
3-ethyl-5-(1H-pyrazol-4-yl)piperazin-2-one has a molecular weight of 194.24 g/mol, XLogP of -0.05, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(1H-pyrazol-4-yl)piperazin-2-one is sourced from PubChem (CID 82401063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).