(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone

C16H20N4O — CID 83211587

IUPAC(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone
SMILESCCn1nc(C)cc1C(=O)N1CCc2cc(C)c(N)cc21
InChIInChI=1S/C16H20N4O/c1-4-20-15(8-11(3)18-20)16(21)19-6-5-12-7-10(2)13(17)9-14(12)19/h7-9H,4-6,17H2,1-3H3
InChIKeyNTCJYPIXWDVTGP-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.30
Rot. Bonds2

About (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone

(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone (PubChem CID 83211587) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone
PubChem CID83211587
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone
SMILESCCn1nc(C)cc1C(=O)N1CCc2cc(C)c(N)cc21
InChIInChI=1S/C16H20N4O/c1-4-20-15(8-11(3)18-20)16(21)19-6-5-12-7-10(2)13(17)9-14(12)19/h7-9H,4-6,17H2,1-3H3
InChIKeyNTCJYPIXWDVTGP-UHFFFAOYSA-N
XLogP2.30
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.30
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 (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone?
The IUPAC name of (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone (CID 83211587) is (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone.
What is the SMILES notation for (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone?
The canonical SMILES for (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone is CCn1nc(C)cc1C(=O)N1CCc2cc(C)c(N)cc21.
What is the InChIKey of (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone?
The InChIKey is NTCJYPIXWDVTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-4-20-15(8-11(3)18-20)16(21)19-6-5-12-7-10(2)13(17)9-14(12)19/h7-9H,4-6,17H2,1-3H3.
What are the key properties of (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone?
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone has a molecular weight of 284.36 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 83211587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).