5-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)-3-amino-1H-pyrazole-4-carbaldehyde

C15H16N4O2 — CID 82360227

IUPAC5-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)-3-amino-1H-pyrazole-4-carbaldehyde
SMILESCC(=O)N1c2ccc(-c3[nH]nc(N)c3C=O)cc2CC1C
InChIInChI=1S/C15H16N4O2/c1-8-5-11-6-10(3-4-13(11)19(8)9(2)21)14-12(7-20)15(16)18-17-14/h3-4,6-8H,5H2,1-2H3,(H3,16,17,18)
InChIKeyAFOQRLOAWUGGPC-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.77
Rot. Bonds2

About 5-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)-3-amino-1H-pyrazole-4-carbaldehyde

5-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)-3-amino-1H-pyrazole-4-carbaldehyde (PubChem CID 82360227) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 5-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)-3-amino-1H-pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)-3-amino-1H-pyrazole-4-carbaldehyde
PubChem CID82360227
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name5-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)-3-amino-1H-pyrazole-4-carbaldehyde
SMILESCC(=O)N1c2ccc(-c3[nH]nc(N)c3C=O)cc2CC1C
InChIInChI=1S/C15H16N4O2/c1-8-5-11-6-10(3-4-13(11)19(8)9(2)21)14-12(7-20)15(16)18-17-14/h3-4,6-8H,5H2,1-2H3,(H3,16,17,18)
InChIKeyAFOQRLOAWUGGPC-UHFFFAOYSA-N
XLogP1.77
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)-3-amino-1H-pyrazole-4-carbaldehyde?
The IUPAC name of 5-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)-3-amino-1H-pyrazole-4-carbaldehyde (CID 82360227) is 5-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)-3-amino-1H-pyrazole-4-carbaldehyde.
What is the SMILES notation for 5-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)-3-amino-1H-pyrazole-4-carbaldehyde?
The canonical SMILES for 5-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)-3-amino-1H-pyrazole-4-carbaldehyde is CC(=O)N1c2ccc(-c3[nH]nc(N)c3C=O)cc2CC1C.
What is the InChIKey of 5-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)-3-amino-1H-pyrazole-4-carbaldehyde?
The InChIKey is AFOQRLOAWUGGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-8-5-11-6-10(3-4-13(11)19(8)9(2)21)14-12(7-20)15(16)18-17-14/h3-4,6-8H,5H2,1-2H3,(H3,16,17,18).
What are the key properties of 5-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)-3-amino-1H-pyrazole-4-carbaldehyde?
5-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)-3-amino-1H-pyrazole-4-carbaldehyde has a molecular weight of 284.32 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)-3-amino-1H-pyrazole-4-carbaldehyde is sourced from PubChem (CID 82360227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).