N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide

C22H24N4O2 — CID 4880627

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
SMILESCc1c(NC(=O)CN2c3ccccc3CC2C)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C22H24N4O2/c1-15-13-17-9-7-8-12-19(17)25(15)14-20(27)23-21-16(2)24(3)26(22(21)28)18-10-5-4-6-11-18/h4-12,15H,13-14H2,1-3H3,(H,23,27)
InChIKeyGQRBHELNGWJFCQ-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.87
Rot. Bonds4

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide (PubChem CID 4880627) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
PubChem CID4880627
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
SMILESCc1c(NC(=O)CN2c3ccccc3CC2C)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C22H24N4O2/c1-15-13-17-9-7-8-12-19(17)25(15)14-20(27)23-21-16(2)24(3)26(22(21)28)18-10-5-4-6-11-18/h4-12,15H,13-14H2,1-3H3,(H,23,27)
InChIKeyGQRBHELNGWJFCQ-UHFFFAOYSA-N
XLogP2.87
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide (CID 4880627) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide is Cc1c(NC(=O)CN2c3ccccc3CC2C)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide?
The InChIKey is GQRBHELNGWJFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-15-13-17-9-7-8-12-19(17)25(15)14-20(27)23-21-16(2)24(3)26(22(21)28)18-10-5-4-6-11-18/h4-12,15H,13-14H2,1-3H3,(H,23,27).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide has a molecular weight of 376.46 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide is sourced from PubChem (CID 4880627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).