1-[[1,3-dimethyl-5-(propylamino)pyrazol-4-yl]methyl]pyrrolidine-2,5-dione

C13H20N4O2 — CID 55046145

IUPAC1-[[1,3-dimethyl-5-(propylamino)pyrazol-4-yl]methyl]pyrrolidine-2,5-dione
SMILESCCCNc1c(CN2C(=O)CCC2=O)c(C)nn1C
InChIInChI=1S/C13H20N4O2/c1-4-7-14-13-10(9(2)15-16(13)3)8-17-11(18)5-6-12(17)19/h14H,4-8H2,1-3H3
InChIKeyNXAHIXVWSOVDHS-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.20
Rot. Bonds5

About 1-[[1,3-dimethyl-5-(propylamino)pyrazol-4-yl]methyl]pyrrolidine-2,5-dione

1-[[1,3-dimethyl-5-(propylamino)pyrazol-4-yl]methyl]pyrrolidine-2,5-dione (PubChem CID 55046145) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-[[1,3-dimethyl-5-(propylamino)pyrazol-4-yl]methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[[1,3-dimethyl-5-(propylamino)pyrazol-4-yl]methyl]pyrrolidine-2,5-dione
PubChem CID55046145
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name1-[[1,3-dimethyl-5-(propylamino)pyrazol-4-yl]methyl]pyrrolidine-2,5-dione
SMILESCCCNc1c(CN2C(=O)CCC2=O)c(C)nn1C
InChIInChI=1S/C13H20N4O2/c1-4-7-14-13-10(9(2)15-16(13)3)8-17-11(18)5-6-12(17)19/h14H,4-8H2,1-3H3
InChIKeyNXAHIXVWSOVDHS-UHFFFAOYSA-N
XLogP1.20
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[1,3-dimethyl-5-(propylamino)pyrazol-4-yl]methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[[1,3-dimethyl-5-(propylamino)pyrazol-4-yl]methyl]pyrrolidine-2,5-dione (CID 55046145) is 1-[[1,3-dimethyl-5-(propylamino)pyrazol-4-yl]methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[[1,3-dimethyl-5-(propylamino)pyrazol-4-yl]methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[[1,3-dimethyl-5-(propylamino)pyrazol-4-yl]methyl]pyrrolidine-2,5-dione is CCCNc1c(CN2C(=O)CCC2=O)c(C)nn1C.
What is the InChIKey of 1-[[1,3-dimethyl-5-(propylamino)pyrazol-4-yl]methyl]pyrrolidine-2,5-dione?
The InChIKey is NXAHIXVWSOVDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-4-7-14-13-10(9(2)15-16(13)3)8-17-11(18)5-6-12(17)19/h14H,4-8H2,1-3H3.
What are the key properties of 1-[[1,3-dimethyl-5-(propylamino)pyrazol-4-yl]methyl]pyrrolidine-2,5-dione?
1-[[1,3-dimethyl-5-(propylamino)pyrazol-4-yl]methyl]pyrrolidine-2,5-dione has a molecular weight of 264.33 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1,3-dimethyl-5-(propylamino)pyrazol-4-yl]methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 55046145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).