1-tert-butyl-5-methyl-N-[3-(2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]pyrazole-3-carboxamide

C24H24N4O3 — CID 86610441

IUPAC1-tert-butyl-5-methyl-N-[3-(2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(C(=O)c3ccc4c(c3)NC(=O)C4)c2)nn1C(C)(C)C
InChIInChI=1S/C24H24N4O3/c1-14-10-20(27-28(14)24(2,3)4)23(31)25-18-7-5-6-16(11-18)22(30)17-9-8-15-13-21(29)26-19(15)12-17/h5-12H,13H2,1-4H3,(H,25,31)(H,26,29)
InChIKeyNFRQQQLRENHZDC-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.92
Rot. Bonds4

About 1-tert-butyl-5-methyl-N-[3-(2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]pyrazole-3-carboxamide

1-tert-butyl-5-methyl-N-[3-(2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]pyrazole-3-carboxamide (PubChem CID 86610441) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 1-tert-butyl-5-methyl-N-[3-(2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-5-methyl-N-[3-(2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]pyrazole-3-carboxamide
PubChem CID86610441
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name1-tert-butyl-5-methyl-N-[3-(2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(C(=O)c3ccc4c(c3)NC(=O)C4)c2)nn1C(C)(C)C
InChIInChI=1S/C24H24N4O3/c1-14-10-20(27-28(14)24(2,3)4)23(31)25-18-7-5-6-16(11-18)22(30)17-9-8-15-13-21(29)26-19(15)12-17/h5-12H,13H2,1-4H3,(H,25,31)(H,26,29)
InChIKeyNFRQQQLRENHZDC-UHFFFAOYSA-N
XLogP3.92
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-methyl-N-[3-(2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-tert-butyl-5-methyl-N-[3-(2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]pyrazole-3-carboxamide (CID 86610441) is 1-tert-butyl-5-methyl-N-[3-(2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-5-methyl-N-[3-(2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-tert-butyl-5-methyl-N-[3-(2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]pyrazole-3-carboxamide is Cc1cc(C(=O)Nc2cccc(C(=O)c3ccc4c(c3)NC(=O)C4)c2)nn1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-5-methyl-N-[3-(2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]pyrazole-3-carboxamide?
The InChIKey is NFRQQQLRENHZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-14-10-20(27-28(14)24(2,3)4)23(31)25-18-7-5-6-16(11-18)22(30)17-9-8-15-13-21(29)26-19(15)12-17/h5-12H,13H2,1-4H3,(H,25,31)(H,26,29).
What are the key properties of 1-tert-butyl-5-methyl-N-[3-(2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]pyrazole-3-carboxamide?
1-tert-butyl-5-methyl-N-[3-(2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 416.48 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-methyl-N-[3-(2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 86610441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).