1-[2-(1-methylpyrazol-4-yl)acetyl]-2,3-dihydroindole-6-carboxylic acid

C15H15N3O3 — CID 154780775

IUPAC1-[2-(1-methylpyrazol-4-yl)acetyl]-2,3-dihydroindole-6-carboxylic acid
SMILESCn1cc(CC(=O)N2CCc3ccc(C(=O)O)cc32)cn1
InChIInChI=1S/C15H15N3O3/c1-17-9-10(8-16-17)6-14(19)18-5-4-11-2-3-12(15(20)21)7-13(11)18/h2-3,7-9H,4-6H2,1H3,(H,20,21)
InChIKeyBEIKHGLSVRXMKD-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.25
Rot. Bonds3

About 1-[2-(1-methylpyrazol-4-yl)acetyl]-2,3-dihydroindole-6-carboxylic acid

1-[2-(1-methylpyrazol-4-yl)acetyl]-2,3-dihydroindole-6-carboxylic acid (PubChem CID 154780775) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 1-[2-(1-methylpyrazol-4-yl)acetyl]-2,3-dihydroindole-6-carboxylic acid.

Molecular Properties

Compound Name1-[2-(1-methylpyrazol-4-yl)acetyl]-2,3-dihydroindole-6-carboxylic acid
PubChem CID154780775
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name1-[2-(1-methylpyrazol-4-yl)acetyl]-2,3-dihydroindole-6-carboxylic acid
SMILESCn1cc(CC(=O)N2CCc3ccc(C(=O)O)cc32)cn1
InChIInChI=1S/C15H15N3O3/c1-17-9-10(8-16-17)6-14(19)18-5-4-11-2-3-12(15(20)21)7-13(11)18/h2-3,7-9H,4-6H2,1H3,(H,20,21)
InChIKeyBEIKHGLSVRXMKD-UHFFFAOYSA-N
XLogP1.25
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylpyrazol-4-yl)acetyl]-2,3-dihydroindole-6-carboxylic acid?
The IUPAC name of 1-[2-(1-methylpyrazol-4-yl)acetyl]-2,3-dihydroindole-6-carboxylic acid (CID 154780775) is 1-[2-(1-methylpyrazol-4-yl)acetyl]-2,3-dihydroindole-6-carboxylic acid.
What is the SMILES notation for 1-[2-(1-methylpyrazol-4-yl)acetyl]-2,3-dihydroindole-6-carboxylic acid?
The canonical SMILES for 1-[2-(1-methylpyrazol-4-yl)acetyl]-2,3-dihydroindole-6-carboxylic acid is Cn1cc(CC(=O)N2CCc3ccc(C(=O)O)cc32)cn1.
What is the InChIKey of 1-[2-(1-methylpyrazol-4-yl)acetyl]-2,3-dihydroindole-6-carboxylic acid?
The InChIKey is BEIKHGLSVRXMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-17-9-10(8-16-17)6-14(19)18-5-4-11-2-3-12(15(20)21)7-13(11)18/h2-3,7-9H,4-6H2,1H3,(H,20,21).
What are the key properties of 1-[2-(1-methylpyrazol-4-yl)acetyl]-2,3-dihydroindole-6-carboxylic acid?
1-[2-(1-methylpyrazol-4-yl)acetyl]-2,3-dihydroindole-6-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylpyrazol-4-yl)acetyl]-2,3-dihydroindole-6-carboxylic acid is sourced from PubChem (CID 154780775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).