1-[(1-methylpyrazol-3-yl)carbamoyl]-2,3-dihydroindole-3-carboxylic acid

C14H14N4O3 — CID 80564813

IUPAC1-[(1-methylpyrazol-3-yl)carbamoyl]-2,3-dihydroindole-3-carboxylic acid
SMILESCn1ccc(NC(=O)N2CC(C(=O)O)c3ccccc32)n1
InChIInChI=1S/C14H14N4O3/c1-17-7-6-12(16-17)15-14(21)18-8-10(13(19)20)9-4-2-3-5-11(9)18/h2-7,10H,8H2,1H3,(H,19,20)(H,15,16,21)
InChIKeyUSCJAALVBLKJLZ-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.64
Rot. Bonds2

About 1-[(1-methylpyrazol-3-yl)carbamoyl]-2,3-dihydroindole-3-carboxylic acid

1-[(1-methylpyrazol-3-yl)carbamoyl]-2,3-dihydroindole-3-carboxylic acid (PubChem CID 80564813) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 1-[(1-methylpyrazol-3-yl)carbamoyl]-2,3-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name1-[(1-methylpyrazol-3-yl)carbamoyl]-2,3-dihydroindole-3-carboxylic acid
PubChem CID80564813
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name1-[(1-methylpyrazol-3-yl)carbamoyl]-2,3-dihydroindole-3-carboxylic acid
SMILESCn1ccc(NC(=O)N2CC(C(=O)O)c3ccccc32)n1
InChIInChI=1S/C14H14N4O3/c1-17-7-6-12(16-17)15-14(21)18-8-10(13(19)20)9-4-2-3-5-11(9)18/h2-7,10H,8H2,1H3,(H,19,20)(H,15,16,21)
InChIKeyUSCJAALVBLKJLZ-UHFFFAOYSA-N
XLogP1.64
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,2,4-triazin-3-ylcarbamoyl)-2,3-dihydroindole-3-carboxylic acid
CID 114388755
1-(1-methylpyrazol-3-yl)sulfonyl-2,3-dihydroindole-3-carboxylic acid
CID 166231449
1-(3-pyrazol-1-ylpropanoyl)-2,3-dihydroindole-3-carboxylic acid
CID 80562988
1-(1-methylimidazole-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 107971594
1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-2,3-dihydroindole-3-carboxylic acid
CID 80564755
1-(2-ethoxyethylcarbamoyl)-2,3-dihydroindole-3-carboxylic acid
CID 80565258
1-(2-aminopropanoyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564978
(3S)-1-(3-methylbut-2-enoyl)-2,3-dihydroindole-3-carboxylic acid
CID 124575403
1-but-2-ynoyl-2,3-dihydroindole-3-carboxylic acid
CID 107986860
1-(2,2,2-trifluoroacetyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564111
1-[4-(methylamino)butanoyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565125
3-[(1-methylpyrazol-3-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61204328

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrazol-3-yl)carbamoyl]-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of 1-[(1-methylpyrazol-3-yl)carbamoyl]-2,3-dihydroindole-3-carboxylic acid (CID 80564813) is 1-[(1-methylpyrazol-3-yl)carbamoyl]-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for 1-[(1-methylpyrazol-3-yl)carbamoyl]-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for 1-[(1-methylpyrazol-3-yl)carbamoyl]-2,3-dihydroindole-3-carboxylic acid is Cn1ccc(NC(=O)N2CC(C(=O)O)c3ccccc32)n1.
What is the InChIKey of 1-[(1-methylpyrazol-3-yl)carbamoyl]-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is USCJAALVBLKJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-17-7-6-12(16-17)15-14(21)18-8-10(13(19)20)9-4-2-3-5-11(9)18/h2-7,10H,8H2,1H3,(H,19,20)(H,15,16,21).
What are the key properties of 1-[(1-methylpyrazol-3-yl)carbamoyl]-2,3-dihydroindole-3-carboxylic acid?
1-[(1-methylpyrazol-3-yl)carbamoyl]-2,3-dihydroindole-3-carboxylic acid has a molecular weight of 286.29 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrazol-3-yl)carbamoyl]-2,3-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 80564813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).