2-[1-(5-methyl-1H-pyrazole-4-carbonyl)-2,3-dihydroindol-3-yl]acetic acid

C15H15N3O3 — CID 80571933

IUPAC2-[1-(5-methyl-1H-pyrazole-4-carbonyl)-2,3-dihydroindol-3-yl]acetic acid
SMILESCc1[nH]ncc1C(=O)N1CC(CC(=O)O)c2ccccc21
InChIInChI=1S/C15H15N3O3/c1-9-12(7-16-17-9)15(21)18-8-10(6-14(19)20)11-4-2-3-5-13(11)18/h2-5,7,10H,6,8H2,1H3,(H,16,17)(H,19,20)
InChIKeyLNUZFEPEUBTGER-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.94
Rot. Bonds3

About 2-[1-(5-methyl-1H-pyrazole-4-carbonyl)-2,3-dihydroindol-3-yl]acetic acid

2-[1-(5-methyl-1H-pyrazole-4-carbonyl)-2,3-dihydroindol-3-yl]acetic acid (PubChem CID 80571933) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-[1-(5-methyl-1H-pyrazole-4-carbonyl)-2,3-dihydroindol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(5-methyl-1H-pyrazole-4-carbonyl)-2,3-dihydroindol-3-yl]acetic acid
PubChem CID80571933
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name2-[1-(5-methyl-1H-pyrazole-4-carbonyl)-2,3-dihydroindol-3-yl]acetic acid
SMILESCc1[nH]ncc1C(=O)N1CC(CC(=O)O)c2ccccc21
InChIInChI=1S/C15H15N3O3/c1-9-12(7-16-17-9)15(21)18-8-10(6-14(19)20)11-4-2-3-5-13(11)18/h2-5,7,10H,6,8H2,1H3,(H,16,17)(H,19,20)
InChIKeyLNUZFEPEUBTGER-UHFFFAOYSA-N
XLogP1.94
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-methyl-1H-pyrazole-4-carbonyl)-2,3-dihydroindol-3-yl]acetic acid?
The IUPAC name of 2-[1-(5-methyl-1H-pyrazole-4-carbonyl)-2,3-dihydroindol-3-yl]acetic acid (CID 80571933) is 2-[1-(5-methyl-1H-pyrazole-4-carbonyl)-2,3-dihydroindol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(5-methyl-1H-pyrazole-4-carbonyl)-2,3-dihydroindol-3-yl]acetic acid?
The canonical SMILES for 2-[1-(5-methyl-1H-pyrazole-4-carbonyl)-2,3-dihydroindol-3-yl]acetic acid is Cc1[nH]ncc1C(=O)N1CC(CC(=O)O)c2ccccc21.
What is the InChIKey of 2-[1-(5-methyl-1H-pyrazole-4-carbonyl)-2,3-dihydroindol-3-yl]acetic acid?
The InChIKey is LNUZFEPEUBTGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-9-12(7-16-17-9)15(21)18-8-10(6-14(19)20)11-4-2-3-5-13(11)18/h2-5,7,10H,6,8H2,1H3,(H,16,17)(H,19,20).
What are the key properties of 2-[1-(5-methyl-1H-pyrazole-4-carbonyl)-2,3-dihydroindol-3-yl]acetic acid?
2-[1-(5-methyl-1H-pyrazole-4-carbonyl)-2,3-dihydroindol-3-yl]acetic acid has a molecular weight of 285.30 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-methyl-1H-pyrazole-4-carbonyl)-2,3-dihydroindol-3-yl]acetic acid is sourced from PubChem (CID 80571933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).