1-[(1-cyclohexylpyrazol-3-yl)methyl]piperazine-2,6-dione

C14H20N4O2 — CID 66062253

IUPAC1-[(1-cyclohexylpyrazol-3-yl)methyl]piperazine-2,6-dione
SMILESO=C1CNCC(=O)N1Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C14H20N4O2/c19-13-8-15-9-14(20)17(13)10-11-6-7-18(16-11)12-4-2-1-3-5-12/h6-7,12,15H,1-5,8-10H2
InChIKeyZUUVBUASIARZPA-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.85
Rot. Bonds3

About 1-[(1-cyclohexylpyrazol-3-yl)methyl]piperazine-2,6-dione

1-[(1-cyclohexylpyrazol-3-yl)methyl]piperazine-2,6-dione (PubChem CID 66062253) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[(1-cyclohexylpyrazol-3-yl)methyl]piperazine-2,6-dione.

Molecular Properties

Compound Name1-[(1-cyclohexylpyrazol-3-yl)methyl]piperazine-2,6-dione
PubChem CID66062253
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name1-[(1-cyclohexylpyrazol-3-yl)methyl]piperazine-2,6-dione
SMILESO=C1CNCC(=O)N1Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C14H20N4O2/c19-13-8-15-9-14(20)17(13)10-11-6-7-18(16-11)12-4-2-1-3-5-12/h6-7,12,15H,1-5,8-10H2
InChIKeyZUUVBUASIARZPA-UHFFFAOYSA-N
XLogP0.85
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[(1-cyclopentylpyrazol-3-yl)methyl]-1,3-diazinane-2,4-dione
CID 146143412
1-[(1-cyclohexylpyrazol-3-yl)methyl]pyridin-4-one
CID 116622240
(5S)-5-tert-butyl-3-[(1-cyclopentylpyrazol-3-yl)methyl]imidazolidine-2,4-dione
CID 86783136
1-[(1-cyclohexylpyrazol-3-yl)methyl]-4-methylpyridin-2-one
CID 116622567
(3S,4R)-1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410877
1-cyclohexyl-3-ethylpyrazole
CID 66014335
1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidine-4-carbaldehyde
CID 64776943
3-[(1-cyclopentylpyrazol-3-yl)methyl]pyrimidin-4-one
CID 113259046
(3S,4R)-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410698
1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrole-2-carbaldehyde
CID 66407470
3-amino-5-bromo-1-[(1-cyclohexylpyrazol-3-yl)methyl]pyridin-4-one
CID 103962037
3-(2-chloroethyl)-1-cyclohexylpyrazole
CID 130480552

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclohexylpyrazol-3-yl)methyl]piperazine-2,6-dione?
The IUPAC name of 1-[(1-cyclohexylpyrazol-3-yl)methyl]piperazine-2,6-dione (CID 66062253) is 1-[(1-cyclohexylpyrazol-3-yl)methyl]piperazine-2,6-dione.
What is the SMILES notation for 1-[(1-cyclohexylpyrazol-3-yl)methyl]piperazine-2,6-dione?
The canonical SMILES for 1-[(1-cyclohexylpyrazol-3-yl)methyl]piperazine-2,6-dione is O=C1CNCC(=O)N1Cc1ccn(C2CCCCC2)n1.
What is the InChIKey of 1-[(1-cyclohexylpyrazol-3-yl)methyl]piperazine-2,6-dione?
The InChIKey is ZUUVBUASIARZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c19-13-8-15-9-14(20)17(13)10-11-6-7-18(16-11)12-4-2-1-3-5-12/h6-7,12,15H,1-5,8-10H2.
What are the key properties of 1-[(1-cyclohexylpyrazol-3-yl)methyl]piperazine-2,6-dione?
1-[(1-cyclohexylpyrazol-3-yl)methyl]piperazine-2,6-dione has a molecular weight of 276.34 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclohexylpyrazol-3-yl)methyl]piperazine-2,6-dione is sourced from PubChem (CID 66062253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).