(4-amino-2,3-dihydroindol-1-yl)-(1,3-diethylpyrazol-5-yl)methanone

C16H20N4O — CID 66121179

IUPAC(4-amino-2,3-dihydroindol-1-yl)-(1,3-diethylpyrazol-5-yl)methanone
SMILESCCc1cc(C(=O)N2CCc3c(N)cccc32)n(CC)n1
InChIInChI=1S/C16H20N4O/c1-3-11-10-15(20(4-2)18-11)16(21)19-9-8-12-13(17)6-5-7-14(12)19/h5-7,10H,3-4,8-9,17H2,1-2H3
InChIKeyJPMRPIIPFOWJKS-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.25
Rot. Bonds3

About (4-amino-2,3-dihydroindol-1-yl)-(1,3-diethylpyrazol-5-yl)methanone

(4-amino-2,3-dihydroindol-1-yl)-(1,3-diethylpyrazol-5-yl)methanone (PubChem CID 66121179) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is (4-amino-2,3-dihydroindol-1-yl)-(1,3-diethylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name(4-amino-2,3-dihydroindol-1-yl)-(1,3-diethylpyrazol-5-yl)methanone
PubChem CID66121179
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name(4-amino-2,3-dihydroindol-1-yl)-(1,3-diethylpyrazol-5-yl)methanone
SMILESCCc1cc(C(=O)N2CCc3c(N)cccc32)n(CC)n1
InChIInChI=1S/C16H20N4O/c1-3-11-10-15(20(4-2)18-11)16(21)19-9-8-12-13(17)6-5-7-14(12)19/h5-7,10H,3-4,8-9,17H2,1-2H3
InChIKeyJPMRPIIPFOWJKS-UHFFFAOYSA-N
XLogP2.25
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-amino-2,3-dihydroindol-1-yl)-(1,3-diethylpyrazol-5-yl)methanone?
The IUPAC name of (4-amino-2,3-dihydroindol-1-yl)-(1,3-diethylpyrazol-5-yl)methanone (CID 66121179) is (4-amino-2,3-dihydroindol-1-yl)-(1,3-diethylpyrazol-5-yl)methanone.
What is the SMILES notation for (4-amino-2,3-dihydroindol-1-yl)-(1,3-diethylpyrazol-5-yl)methanone?
The canonical SMILES for (4-amino-2,3-dihydroindol-1-yl)-(1,3-diethylpyrazol-5-yl)methanone is CCc1cc(C(=O)N2CCc3c(N)cccc32)n(CC)n1.
What is the InChIKey of (4-amino-2,3-dihydroindol-1-yl)-(1,3-diethylpyrazol-5-yl)methanone?
The InChIKey is JPMRPIIPFOWJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-3-11-10-15(20(4-2)18-11)16(21)19-9-8-12-13(17)6-5-7-14(12)19/h5-7,10H,3-4,8-9,17H2,1-2H3.
What are the key properties of (4-amino-2,3-dihydroindol-1-yl)-(1,3-diethylpyrazol-5-yl)methanone?
(4-amino-2,3-dihydroindol-1-yl)-(1,3-diethylpyrazol-5-yl)methanone has a molecular weight of 284.36 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2,3-dihydroindol-1-yl)-(1,3-diethylpyrazol-5-yl)methanone is sourced from PubChem (CID 66121179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).