5-bromo-N-(2-methylpyrazol-3-yl)-2,3-dihydro-1H-indene-2-carboxamide

C14H14BrN3O — CID 112524848

IUPAC5-bromo-N-(2-methylpyrazol-3-yl)-2,3-dihydro-1H-indene-2-carboxamide
SMILESCn1nccc1NC(=O)C1Cc2ccc(Br)cc2C1
InChIInChI=1S/C14H14BrN3O/c1-18-13(4-5-16-18)17-14(19)11-6-9-2-3-12(15)8-10(9)7-11/h2-5,8,11H,6-7H2,1H3,(H,17,19)
InChIKeyKPOYHOJNWPZVJN-UHFFFAOYSA-N
MW320.19 g/mol
LogP2.54
Rot. Bonds2

About 5-bromo-N-(2-methylpyrazol-3-yl)-2,3-dihydro-1H-indene-2-carboxamide

5-bromo-N-(2-methylpyrazol-3-yl)-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 112524848) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is 5-bromo-N-(2-methylpyrazol-3-yl)-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-methylpyrazol-3-yl)-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID112524848
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC Name5-bromo-N-(2-methylpyrazol-3-yl)-2,3-dihydro-1H-indene-2-carboxamide
SMILESCn1nccc1NC(=O)C1Cc2ccc(Br)cc2C1
InChIInChI=1S/C14H14BrN3O/c1-18-13(4-5-16-18)17-14(19)11-6-9-2-3-12(15)8-10(9)7-11/h2-5,8,11H,6-7H2,1H3,(H,17,19)
InChIKeyKPOYHOJNWPZVJN-UHFFFAOYSA-N
XLogP2.54
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(4-hydroxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 84578206
N-(2-methylpyrazol-3-yl)-4-oxocyclohexane-1-carboxamide
CID 112524854
(3R)-N-(2-methylpyrazol-3-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 130748052
5-bromo-N-(2,6-dichlorophenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112525315
3-[(2-methylpyrazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 55235020
(3S)-N-(2-methylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896409
5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112521584
5-bromo-N-[3-(dimethylamino)phenyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 84577492
N-(4-bromo-2-pyridinyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106704334
(4-bromo-2-pyridinyl) N-(2-methylpyrazol-3-yl)carbamate
CID 155024220
5-bromo-N-(2-methyl-1,3-benzothiazol-5-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112525640
5-bromo-N-(2-methoxyethyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 84578269

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methylpyrazol-3-yl)-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-methylpyrazol-3-yl)-2,3-dihydro-1H-indene-2-carboxamide (CID 112524848) is 5-bromo-N-(2-methylpyrazol-3-yl)-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-methylpyrazol-3-yl)-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-methylpyrazol-3-yl)-2,3-dihydro-1H-indene-2-carboxamide is Cn1nccc1NC(=O)C1Cc2ccc(Br)cc2C1.
What is the InChIKey of 5-bromo-N-(2-methylpyrazol-3-yl)-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is KPOYHOJNWPZVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c1-18-13(4-5-16-18)17-14(19)11-6-9-2-3-12(15)8-10(9)7-11/h2-5,8,11H,6-7H2,1H3,(H,17,19).
What are the key properties of 5-bromo-N-(2-methylpyrazol-3-yl)-2,3-dihydro-1H-indene-2-carboxamide?
5-bromo-N-(2-methylpyrazol-3-yl)-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 320.19 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-methylpyrazol-3-yl)-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 112524848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).