1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid

C19H23N3O3 — CID 120691690

IUPAC1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid
SMILESCCC(CC)n1ncc(C(=O)N2CC(C(=O)O)c3ccccc32)c1C
InChIInChI=1S/C19H23N3O3/c1-4-13(5-2)22-12(3)15(10-20-22)18(23)21-11-16(19(24)25)14-8-6-7-9-17(14)21/h6-10,13,16H,4-5,11H2,1-3H3,(H,24,25)
InChIKeyXXDPOIOEEMXZOO-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.38
Rot. Bonds5

About 1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid

1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid (PubChem CID 120691690) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid
PubChem CID120691690
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid
SMILESCCC(CC)n1ncc(C(=O)N2CC(C(=O)O)c3ccccc32)c1C
InChIInChI=1S/C19H23N3O3/c1-4-13(5-2)22-12(3)15(10-20-22)18(23)21-11-16(19(24)25)14-8-6-7-9-17(14)21/h6-10,13,16H,4-5,11H2,1-3H3,(H,24,25)
InChIKeyXXDPOIOEEMXZOO-UHFFFAOYSA-N
XLogP3.38
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of 1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid (CID 120691690) is 1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for 1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for 1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid is CCC(CC)n1ncc(C(=O)N2CC(C(=O)O)c3ccccc32)c1C.
What is the InChIKey of 1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is XXDPOIOEEMXZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-4-13(5-2)22-12(3)15(10-20-22)18(23)21-11-16(19(24)25)14-8-6-7-9-17(14)21/h6-10,13,16H,4-5,11H2,1-3H3,(H,24,25).
What are the key properties of 1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid has a molecular weight of 341.41 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 120691690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).