(7-amino-2,3-dihydroindol-1-yl)-(1,3-dimethylpyrazol-4-yl)methanone

C14H16N4O — CID 102802051

IUPAC(7-amino-2,3-dihydroindol-1-yl)-(1,3-dimethylpyrazol-4-yl)methanone
SMILESCc1nn(C)cc1C(=O)N1CCc2cccc(N)c21
InChIInChI=1S/C14H16N4O/c1-9-11(8-17(2)16-9)14(19)18-7-6-10-4-3-5-12(15)13(10)18/h3-5,8H,6-7,15H2,1-2H3
InChIKeyTYEWDUKBOHQUMR-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.51
Rot. Bonds1

About (7-amino-2,3-dihydroindol-1-yl)-(1,3-dimethylpyrazol-4-yl)methanone

(7-amino-2,3-dihydroindol-1-yl)-(1,3-dimethylpyrazol-4-yl)methanone (PubChem CID 102802051) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is (7-amino-2,3-dihydroindol-1-yl)-(1,3-dimethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(7-amino-2,3-dihydroindol-1-yl)-(1,3-dimethylpyrazol-4-yl)methanone
PubChem CID102802051
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name(7-amino-2,3-dihydroindol-1-yl)-(1,3-dimethylpyrazol-4-yl)methanone
SMILESCc1nn(C)cc1C(=O)N1CCc2cccc(N)c21
InChIInChI=1S/C14H16N4O/c1-9-11(8-17(2)16-9)14(19)18-7-6-10-4-3-5-12(15)13(10)18/h3-5,8H,6-7,15H2,1-2H3
InChIKeyTYEWDUKBOHQUMR-UHFFFAOYSA-N
XLogP1.51
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.51
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 (7-amino-2,3-dihydroindol-1-yl)-(1,3-dimethylpyrazol-4-yl)methanone?
The IUPAC name of (7-amino-2,3-dihydroindol-1-yl)-(1,3-dimethylpyrazol-4-yl)methanone (CID 102802051) is (7-amino-2,3-dihydroindol-1-yl)-(1,3-dimethylpyrazol-4-yl)methanone.
What is the SMILES notation for (7-amino-2,3-dihydroindol-1-yl)-(1,3-dimethylpyrazol-4-yl)methanone?
The canonical SMILES for (7-amino-2,3-dihydroindol-1-yl)-(1,3-dimethylpyrazol-4-yl)methanone is Cc1nn(C)cc1C(=O)N1CCc2cccc(N)c21.
What is the InChIKey of (7-amino-2,3-dihydroindol-1-yl)-(1,3-dimethylpyrazol-4-yl)methanone?
The InChIKey is TYEWDUKBOHQUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-9-11(8-17(2)16-9)14(19)18-7-6-10-4-3-5-12(15)13(10)18/h3-5,8H,6-7,15H2,1-2H3.
What are the key properties of (7-amino-2,3-dihydroindol-1-yl)-(1,3-dimethylpyrazol-4-yl)methanone?
(7-amino-2,3-dihydroindol-1-yl)-(1,3-dimethylpyrazol-4-yl)methanone has a molecular weight of 256.31 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-amino-2,3-dihydroindol-1-yl)-(1,3-dimethylpyrazol-4-yl)methanone is sourced from PubChem (CID 102802051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).