5-(2,3-dihydroindol-1-yl)-1,3-dimethylpyrazole-4-carboxylic acid

C14H15N3O2 — CID 28952106

IUPAC5-(2,3-dihydroindol-1-yl)-1,3-dimethylpyrazole-4-carboxylic acid
SMILESCc1nn(C)c(N2CCc3ccccc32)c1C(=O)O
InChIInChI=1S/C14H15N3O2/c1-9-12(14(18)19)13(16(2)15-9)17-8-7-10-5-3-4-6-11(10)17/h3-6H,7-8H2,1-2H3,(H,18,19)
InChIKeyXRLMUZOKNKUEBO-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.12
Rot. Bonds2

About 5-(2,3-dihydroindol-1-yl)-1,3-dimethylpyrazole-4-carboxylic acid

5-(2,3-dihydroindol-1-yl)-1,3-dimethylpyrazole-4-carboxylic acid (PubChem CID 28952106) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 5-(2,3-dihydroindol-1-yl)-1,3-dimethylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2,3-dihydroindol-1-yl)-1,3-dimethylpyrazole-4-carboxylic acid
PubChem CID28952106
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name5-(2,3-dihydroindol-1-yl)-1,3-dimethylpyrazole-4-carboxylic acid
SMILESCc1nn(C)c(N2CCc3ccccc32)c1C(=O)O
InChIInChI=1S/C14H15N3O2/c1-9-12(14(18)19)13(16(2)15-9)17-8-7-10-5-3-4-6-11(10)17/h3-6H,7-8H2,1-2H3,(H,18,19)
InChIKeyXRLMUZOKNKUEBO-UHFFFAOYSA-N
XLogP2.12
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydroindol-1-yl)-1,3-dimethylpyrazole-4-carboxylic acid?
The IUPAC name of 5-(2,3-dihydroindol-1-yl)-1,3-dimethylpyrazole-4-carboxylic acid (CID 28952106) is 5-(2,3-dihydroindol-1-yl)-1,3-dimethylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(2,3-dihydroindol-1-yl)-1,3-dimethylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-(2,3-dihydroindol-1-yl)-1,3-dimethylpyrazole-4-carboxylic acid is Cc1nn(C)c(N2CCc3ccccc32)c1C(=O)O.
What is the InChIKey of 5-(2,3-dihydroindol-1-yl)-1,3-dimethylpyrazole-4-carboxylic acid?
The InChIKey is XRLMUZOKNKUEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-9-12(14(18)19)13(16(2)15-9)17-8-7-10-5-3-4-6-11(10)17/h3-6H,7-8H2,1-2H3,(H,18,19).
What are the key properties of 5-(2,3-dihydroindol-1-yl)-1,3-dimethylpyrazole-4-carboxylic acid?
5-(2,3-dihydroindol-1-yl)-1,3-dimethylpyrazole-4-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydroindol-1-yl)-1,3-dimethylpyrazole-4-carboxylic acid is sourced from PubChem (CID 28952106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).