1-[(1-propan-2-ylpyrazol-3-yl)methyl]-6-propylpiperazine-2,5-dione

C14H22N4O2 — CID 64881604

IUPAC1-[(1-propan-2-ylpyrazol-3-yl)methyl]-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NCC(=O)N1Cc1ccn(C(C)C)n1
InChIInChI=1S/C14H22N4O2/c1-4-5-12-14(20)15-8-13(19)17(12)9-11-6-7-18(16-11)10(2)3/h6-7,10,12H,4-5,8-9H2,1-3H3,(H,15,20)
InChIKeyITXUNUFZUGJAMJ-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.09
Rot. Bonds5

About 1-[(1-propan-2-ylpyrazol-3-yl)methyl]-6-propylpiperazine-2,5-dione

1-[(1-propan-2-ylpyrazol-3-yl)methyl]-6-propylpiperazine-2,5-dione (PubChem CID 64881604) 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]-6-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(1-propan-2-ylpyrazol-3-yl)methyl]-6-propylpiperazine-2,5-dione
PubChem CID64881604
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name1-[(1-propan-2-ylpyrazol-3-yl)methyl]-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NCC(=O)N1Cc1ccn(C(C)C)n1
InChIInChI=1S/C14H22N4O2/c1-4-5-12-14(20)15-8-13(19)17(12)9-11-6-7-18(16-11)10(2)3/h6-7,10,12H,4-5,8-9H2,1-3H3,(H,15,20)
InChIKeyITXUNUFZUGJAMJ-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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Frequently Asked Questions

What is the IUPAC name of 1-[(1-propan-2-ylpyrazol-3-yl)methyl]-6-propylpiperazine-2,5-dione?
The IUPAC name of 1-[(1-propan-2-ylpyrazol-3-yl)methyl]-6-propylpiperazine-2,5-dione (CID 64881604) is 1-[(1-propan-2-ylpyrazol-3-yl)methyl]-6-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(1-propan-2-ylpyrazol-3-yl)methyl]-6-propylpiperazine-2,5-dione?
The canonical SMILES for 1-[(1-propan-2-ylpyrazol-3-yl)methyl]-6-propylpiperazine-2,5-dione is CCCC1C(=O)NCC(=O)N1Cc1ccn(C(C)C)n1.
What is the InChIKey of 1-[(1-propan-2-ylpyrazol-3-yl)methyl]-6-propylpiperazine-2,5-dione?
The InChIKey is ITXUNUFZUGJAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-4-5-12-14(20)15-8-13(19)17(12)9-11-6-7-18(16-11)10(2)3/h6-7,10,12H,4-5,8-9H2,1-3H3,(H,15,20).
What are the key properties of 1-[(1-propan-2-ylpyrazol-3-yl)methyl]-6-propylpiperazine-2,5-dione?
1-[(1-propan-2-ylpyrazol-3-yl)methyl]-6-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]-6-propylpiperazine-2,5-dione is sourced from PubChem (CID 64881604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).