3-(3-ethyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-4-(2-methyl-1H-indol-3-yl)-1-propylpyrrole-2,5-dione

C27H26N4O3 — CID 46110169

IUPAC3-(3-ethyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-4-(2-methyl-1H-indol-3-yl)-1-propylpyrrole-2,5-dione
SMILESCCCN1C(=O)C(c2c(C)[nH]c3ccccc23)=C(C2C(=O)N(c3ccccc3)N=C2CC)C1=O
InChIInChI=1S/C27H26N4O3/c1-4-15-30-25(32)23(21-16(3)28-20-14-10-9-13-18(20)21)24(26(30)33)22-19(5-2)29-31(27(22)34)17-11-7-6-8-12-17/h6-14,22,28H,4-5,15H2,1-3H3
InChIKeyHKACHAWGCRYSJF-UHFFFAOYSA-N
MW454.53 g/mol
LogP4.44
Rot. Bonds6

About 3-(3-ethyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-4-(2-methyl-1H-indol-3-yl)-1-propylpyrrole-2,5-dione

3-(3-ethyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-4-(2-methyl-1H-indol-3-yl)-1-propylpyrrole-2,5-dione (PubChem CID 46110169) has the molecular formula C27H26N4O3 and a molecular weight of 454.53 g/mol. Its IUPAC name is 3-(3-ethyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-4-(2-methyl-1H-indol-3-yl)-1-propylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3-ethyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-4-(2-methyl-1H-indol-3-yl)-1-propylpyrrole-2,5-dione
PubChem CID46110169
Molecular FormulaC27H26N4O3
Molecular Weight454.53 g/mol
Exact Mass454.20
IUPAC Name3-(3-ethyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-4-(2-methyl-1H-indol-3-yl)-1-propylpyrrole-2,5-dione
SMILESCCCN1C(=O)C(c2c(C)[nH]c3ccccc23)=C(C2C(=O)N(c3ccccc3)N=C2CC)C1=O
InChIInChI=1S/C27H26N4O3/c1-4-15-30-25(32)23(21-16(3)28-20-14-10-9-13-18(20)21)24(26(30)33)22-19(5-2)29-31(27(22)34)17-11-7-6-8-12-17/h6-14,22,28H,4-5,15H2,1-3H3
InChIKeyHKACHAWGCRYSJF-UHFFFAOYSA-N
XLogP4.44
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 54.44
H-Bond Donors ≤ 51
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-(3-ethyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-4-(2-methyl-1H-indol-3-yl)-1-propylpyrrole-2,5-dione?
The IUPAC name of 3-(3-ethyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-4-(2-methyl-1H-indol-3-yl)-1-propylpyrrole-2,5-dione (CID 46110169) is 3-(3-ethyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-4-(2-methyl-1H-indol-3-yl)-1-propylpyrrole-2,5-dione.
What is the SMILES notation for 3-(3-ethyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-4-(2-methyl-1H-indol-3-yl)-1-propylpyrrole-2,5-dione?
The canonical SMILES for 3-(3-ethyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-4-(2-methyl-1H-indol-3-yl)-1-propylpyrrole-2,5-dione is CCCN1C(=O)C(c2c(C)[nH]c3ccccc23)=C(C2C(=O)N(c3ccccc3)N=C2CC)C1=O.
What is the InChIKey of 3-(3-ethyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-4-(2-methyl-1H-indol-3-yl)-1-propylpyrrole-2,5-dione?
The InChIKey is HKACHAWGCRYSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O3/c1-4-15-30-25(32)23(21-16(3)28-20-14-10-9-13-18(20)21)24(26(30)33)22-19(5-2)29-31(27(22)34)17-11-7-6-8-12-17/h6-14,22,28H,4-5,15H2,1-3H3.
What are the key properties of 3-(3-ethyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-4-(2-methyl-1H-indol-3-yl)-1-propylpyrrole-2,5-dione?
3-(3-ethyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-4-(2-methyl-1H-indol-3-yl)-1-propylpyrrole-2,5-dione has a molecular weight of 454.53 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-4-(2-methyl-1H-indol-3-yl)-1-propylpyrrole-2,5-dione is sourced from PubChem (CID 46110169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).