(4-bromo-1-methylpyrazol-3-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone

C14H14BrN3O — CID 3631377

IUPAC(4-bromo-1-methylpyrazol-3-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)c1nn(C)cc1Br
InChIInChI=1S/C14H14BrN3O/c1-9-7-10-5-3-4-6-12(10)18(9)14(19)13-11(15)8-17(2)16-13/h3-6,8-9H,7H2,1-2H3
InChIKeyDUPYRBZNAGARFK-UHFFFAOYSA-N
MW320.19 g/mol
LogP2.77
Rot. Bonds1

About (4-bromo-1-methylpyrazol-3-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone

(4-bromo-1-methylpyrazol-3-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 3631377) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is (4-bromo-1-methylpyrazol-3-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(4-bromo-1-methylpyrazol-3-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID3631377
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC Name(4-bromo-1-methylpyrazol-3-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)c1nn(C)cc1Br
InChIInChI=1S/C14H14BrN3O/c1-9-7-10-5-3-4-6-12(10)18(9)14(19)13-11(15)8-17(2)16-13/h3-6,8-9H,7H2,1-2H3
InChIKeyDUPYRBZNAGARFK-UHFFFAOYSA-N
XLogP2.77
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-methylpyrazol-3-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (4-bromo-1-methylpyrazol-3-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone (CID 3631377) is (4-bromo-1-methylpyrazol-3-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (4-bromo-1-methylpyrazol-3-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (4-bromo-1-methylpyrazol-3-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone is CC1Cc2ccccc2N1C(=O)c1nn(C)cc1Br.
What is the InChIKey of (4-bromo-1-methylpyrazol-3-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is DUPYRBZNAGARFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c1-9-7-10-5-3-4-6-12(10)18(9)14(19)13-11(15)8-17(2)16-13/h3-6,8-9H,7H2,1-2H3.
What are the key properties of (4-bromo-1-methylpyrazol-3-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
(4-bromo-1-methylpyrazol-3-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 320.19 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-methylpyrazol-3-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 3631377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).