1-[(1-propan-2-ylpyrazol-3-yl)methyl]-3-propylpiperazine-2,5-dione

C14H22N4O2 — CID 64879792

IUPAC1-[(1-propan-2-ylpyrazol-3-yl)methyl]-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)CN(Cc2ccn(C(C)C)n2)C1=O
InChIInChI=1S/C14H22N4O2/c1-4-5-12-14(20)17(9-13(19)15-12)8-11-6-7-18(16-11)10(2)3/h6-7,10,12H,4-5,8-9H2,1-3H3,(H,15,19)
InChIKeyVUDCTWAWVDFBKG-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.09
Rot. Bonds5

About 1-[(1-propan-2-ylpyrazol-3-yl)methyl]-3-propylpiperazine-2,5-dione

1-[(1-propan-2-ylpyrazol-3-yl)methyl]-3-propylpiperazine-2,5-dione (PubChem CID 64879792) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-[(1-propan-2-ylpyrazol-3-yl)methyl]-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(1-propan-2-ylpyrazol-3-yl)methyl]-3-propylpiperazine-2,5-dione
PubChem CID64879792
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name1-[(1-propan-2-ylpyrazol-3-yl)methyl]-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)CN(Cc2ccn(C(C)C)n2)C1=O
InChIInChI=1S/C14H22N4O2/c1-4-5-12-14(20)17(9-13(19)15-12)8-11-6-7-18(16-11)10(2)3/h6-7,10,12H,4-5,8-9H2,1-3H3,(H,15,19)
InChIKeyVUDCTWAWVDFBKG-UHFFFAOYSA-N
XLogP1.09
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine-2,5-dione
CID 64873058
1-(1,2-oxazol-3-ylmethyl)-3-propylpiperazine-2,5-dione
CID 81174153
1-[(2-methylpyrimidin-4-yl)methyl]-3-propylpiperazine-2,5-dione
CID 64967691
1-[(4-chlorophenyl)methyl]-3-propylpiperazine-2,5-dione
CID 64880938
1-[(2,6-difluorophenyl)methyl]-3-propylpiperazine-2,5-dione
CID 114934698
1-(2-phenylpropyl)-3-propylpiperazine-2,5-dione
CID 104592447
1-[(1-propan-2-ylpyrazol-3-yl)methyl]-6-propylpiperazine-2,5-dione
CID 64881604
1-butyl-3-propylpiperazine-2,5-dione
CID 64879982
3-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine-2,6-dione
CID 66074316
3-propyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione
CID 64880362
1-[(2-methoxyphenyl)methyl]-3-propylpiperazine-2,5-dione
CID 64878854
1-[(5-methyl-3-pyridinyl)methyl]-3-propylpiperazine-2,5-dione
CID 102879797

Frequently Asked Questions

What is the IUPAC name of 1-[(1-propan-2-ylpyrazol-3-yl)methyl]-3-propylpiperazine-2,5-dione?
The IUPAC name of 1-[(1-propan-2-ylpyrazol-3-yl)methyl]-3-propylpiperazine-2,5-dione (CID 64879792) is 1-[(1-propan-2-ylpyrazol-3-yl)methyl]-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(1-propan-2-ylpyrazol-3-yl)methyl]-3-propylpiperazine-2,5-dione?
The canonical SMILES for 1-[(1-propan-2-ylpyrazol-3-yl)methyl]-3-propylpiperazine-2,5-dione is CCCC1NC(=O)CN(Cc2ccn(C(C)C)n2)C1=O.
What is the InChIKey of 1-[(1-propan-2-ylpyrazol-3-yl)methyl]-3-propylpiperazine-2,5-dione?
The InChIKey is VUDCTWAWVDFBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-4-5-12-14(20)17(9-13(19)15-12)8-11-6-7-18(16-11)10(2)3/h6-7,10,12H,4-5,8-9H2,1-3H3,(H,15,19).
What are the key properties of 1-[(1-propan-2-ylpyrazol-3-yl)methyl]-3-propylpiperazine-2,5-dione?
1-[(1-propan-2-ylpyrazol-3-yl)methyl]-3-propylpiperazine-2,5-dione has a molecular weight of 278.36 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-propan-2-ylpyrazol-3-yl)methyl]-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 64879792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).