1-(1H-pyrazol-4-ylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid

C13H12N4O3 — CID 61210037

IUPAC1-(1H-pyrazol-4-ylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)C1Cc2ccccc2N1C(=O)Nc1cn[nH]c1
InChIInChI=1S/C13H12N4O3/c18-12(19)11-5-8-3-1-2-4-10(8)17(11)13(20)16-9-6-14-15-7-9/h1-4,6-7,11H,5H2,(H,14,15)(H,16,20)(H,18,19)
InChIKeyUHYJSQWKQUXDPB-UHFFFAOYSA-N
MW272.26 g/mol
LogP1.46
Rot. Bonds2

About 1-(1H-pyrazol-4-ylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid

1-(1H-pyrazol-4-ylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid (PubChem CID 61210037) has the molecular formula C13H12N4O3 and a molecular weight of 272.26 g/mol. Its IUPAC name is 1-(1H-pyrazol-4-ylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name1-(1H-pyrazol-4-ylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid
PubChem CID61210037
Molecular FormulaC13H12N4O3
Molecular Weight272.26 g/mol
Exact Mass272.09
IUPAC Name1-(1H-pyrazol-4-ylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)C1Cc2ccccc2N1C(=O)Nc1cn[nH]c1
InChIInChI=1S/C13H12N4O3/c18-12(19)11-5-8-3-1-2-4-10(8)17(11)13(20)16-9-6-14-15-7-9/h1-4,6-7,11H,5H2,(H,14,15)(H,16,20)(H,18,19)
InChIKeyUHYJSQWKQUXDPB-UHFFFAOYSA-N
XLogP1.46
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-2,3-dihydroindole-2-carboxylic acid
CID 10058771
1-(1,3-thiazol-2-ylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid
CID 61187874
(2S)-1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-2,3-dihydroindole-2-carboxylic acid
CID 61465604
1-[(3-methylcyclopentyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid
CID 114548925
(2S)-1-(3-methylpentan-3-ylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid
CID 106330706
1-(1,2,5-thiadiazole-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 112728200
(2S)-1-(2-methylprop-2-enylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid
CID 104940149
(2S)-1-(2-ethoxyethylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid
CID 61201079
(2S)-1-[(1-methylpyrrolidin-3-yl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid
CID 61465002
(2S)-1-(2-methylcyclopropanecarbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 61143649
(2S)-1-(2,3-dimethylbutylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid
CID 64599026
1-(3,3,3-trifluoropropylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid
CID 63227411

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-4-ylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of 1-(1H-pyrazol-4-ylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid (CID 61210037) is 1-(1H-pyrazol-4-ylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for 1-(1H-pyrazol-4-ylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for 1-(1H-pyrazol-4-ylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid is O=C(O)C1Cc2ccccc2N1C(=O)Nc1cn[nH]c1.
What is the InChIKey of 1-(1H-pyrazol-4-ylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is UHYJSQWKQUXDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3/c18-12(19)11-5-8-3-1-2-4-10(8)17(11)13(20)16-9-6-14-15-7-9/h1-4,6-7,11H,5H2,(H,14,15)(H,16,20)(H,18,19).
What are the key properties of 1-(1H-pyrazol-4-ylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid?
1-(1H-pyrazol-4-ylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 272.26 g/mol, XLogP of 1.46, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-4-ylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 61210037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).