3-[[4-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]phenyl]methyl]pyrrolidine-2,5-dione

C19H24N4O2 — CID 75385528

IUPAC3-[[4-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]phenyl]methyl]pyrrolidine-2,5-dione
SMILESCC(C)(C)c1[nH]ncc1CNc1ccc(CC2CC(=O)NC2=O)cc1
InChIInChI=1S/C19H24N4O2/c1-19(2,3)17-14(11-21-23-17)10-20-15-6-4-12(5-7-15)8-13-9-16(24)22-18(13)25/h4-7,11,13,20H,8-10H2,1-3H3,(H,21,23)(H,22,24,25)
InChIKeyBHSJBXQYVZEBEZ-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.52
Rot. Bonds5

About 3-[[4-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]phenyl]methyl]pyrrolidine-2,5-dione

3-[[4-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]phenyl]methyl]pyrrolidine-2,5-dione (PubChem CID 75385528) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 3-[[4-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]phenyl]methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[[4-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]phenyl]methyl]pyrrolidine-2,5-dione
PubChem CID75385528
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name3-[[4-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]phenyl]methyl]pyrrolidine-2,5-dione
SMILESCC(C)(C)c1[nH]ncc1CNc1ccc(CC2CC(=O)NC2=O)cc1
InChIInChI=1S/C19H24N4O2/c1-19(2,3)17-14(11-21-23-17)10-20-15-6-4-12(5-7-15)8-13-9-16(24)22-18(13)25/h4-7,11,13,20H,8-10H2,1-3H3,(H,21,23)(H,22,24,25)
InChIKeyBHSJBXQYVZEBEZ-UHFFFAOYSA-N
XLogP2.52
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]phenyl]methyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-[[4-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]phenyl]methyl]pyrrolidine-2,5-dione (CID 75385528) is 3-[[4-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]phenyl]methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[[4-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]phenyl]methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[[4-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]phenyl]methyl]pyrrolidine-2,5-dione is CC(C)(C)c1[nH]ncc1CNc1ccc(CC2CC(=O)NC2=O)cc1.
What is the InChIKey of 3-[[4-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]phenyl]methyl]pyrrolidine-2,5-dione?
The InChIKey is BHSJBXQYVZEBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-19(2,3)17-14(11-21-23-17)10-20-15-6-4-12(5-7-15)8-13-9-16(24)22-18(13)25/h4-7,11,13,20H,8-10H2,1-3H3,(H,21,23)(H,22,24,25).
What are the key properties of 3-[[4-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]phenyl]methyl]pyrrolidine-2,5-dione?
3-[[4-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]phenyl]methyl]pyrrolidine-2,5-dione has a molecular weight of 340.43 g/mol, XLogP of 2.52, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]phenyl]methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 75385528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).