3-(1-benzylpyrazol-4-yl)piperazin-2-one

C14H16N4O — CID 131025961

IUPAC3-(1-benzylpyrazol-4-yl)piperazin-2-one
SMILESO=C1NCCNC1c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C14H16N4O/c19-14-13(15-6-7-16-14)12-8-17-18(10-12)9-11-4-2-1-3-5-11/h1-5,8,10,13,15H,6-7,9H2,(H,16,19)
InChIKeyRNUCWQVNPOPZDL-UHFFFAOYSA-N
MW256.31 g/mol
LogP0.69
Rot. Bonds3

About 3-(1-benzylpyrazol-4-yl)piperazin-2-one

3-(1-benzylpyrazol-4-yl)piperazin-2-one (PubChem CID 131025961) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 3-(1-benzylpyrazol-4-yl)piperazin-2-one.

Molecular Properties

Compound Name3-(1-benzylpyrazol-4-yl)piperazin-2-one
PubChem CID131025961
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name3-(1-benzylpyrazol-4-yl)piperazin-2-one
SMILESO=C1NCCNC1c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C14H16N4O/c19-14-13(15-6-7-16-14)12-8-17-18(10-12)9-11-4-2-1-3-5-11/h1-5,8,10,13,15H,6-7,9H2,(H,16,19)
InChIKeyRNUCWQVNPOPZDL-UHFFFAOYSA-N
XLogP0.69
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 139343744
(1-benzylpyrazol-4-yl)methylhydrazine
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CID 119937384
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N-[(1-benzylpyrazol-4-yl)methyl]-1-[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine
CID 136755501
N-[(1-benzylpyrazol-4-yl)methyl]-1-(thian-4-yl)methanamine
CID 115626030
N-[(1-benzylpyrazol-4-yl)methyl]-2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetamide
CID 97156487
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CID 99972089
1-(1-benzylpyrazol-4-yl)-3-[(1-methylpyrazol-4-yl)methyl]urea
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1-benzylpyridazin-4-one
CID 67375734

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylpyrazol-4-yl)piperazin-2-one?
The IUPAC name of 3-(1-benzylpyrazol-4-yl)piperazin-2-one (CID 131025961) is 3-(1-benzylpyrazol-4-yl)piperazin-2-one.
What is the SMILES notation for 3-(1-benzylpyrazol-4-yl)piperazin-2-one?
The canonical SMILES for 3-(1-benzylpyrazol-4-yl)piperazin-2-one is O=C1NCCNC1c1cnn(Cc2ccccc2)c1.
What is the InChIKey of 3-(1-benzylpyrazol-4-yl)piperazin-2-one?
The InChIKey is RNUCWQVNPOPZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c19-14-13(15-6-7-16-14)12-8-17-18(10-12)9-11-4-2-1-3-5-11/h1-5,8,10,13,15H,6-7,9H2,(H,16,19).
What are the key properties of 3-(1-benzylpyrazol-4-yl)piperazin-2-one?
3-(1-benzylpyrazol-4-yl)piperazin-2-one has a molecular weight of 256.31 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylpyrazol-4-yl)piperazin-2-one is sourced from PubChem (CID 131025961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).