2-(1H-indole-2-carbonyl)-5-methyl-4H-pyrazol-3-one

C13H11N3O2 — CID 131876108

IUPAC2-(1H-indole-2-carbonyl)-5-methyl-4H-pyrazol-3-one
SMILESCC1=NN(C(=O)c2cc3ccccc3[nH]2)C(=O)C1
InChIInChI=1S/C13H11N3O2/c1-8-6-12(17)16(15-8)13(18)11-7-9-4-2-3-5-10(9)14-11/h2-5,7,14H,6H2,1H3
InChIKeyHYEGUDXEHFUDMT-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.92
Rot. Bonds1

About 2-(1H-indole-2-carbonyl)-5-methyl-4H-pyrazol-3-one

2-(1H-indole-2-carbonyl)-5-methyl-4H-pyrazol-3-one (PubChem CID 131876108) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-(1H-indole-2-carbonyl)-5-methyl-4H-pyrazol-3-one.

Molecular Properties

Compound Name2-(1H-indole-2-carbonyl)-5-methyl-4H-pyrazol-3-one
PubChem CID131876108
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name2-(1H-indole-2-carbonyl)-5-methyl-4H-pyrazol-3-one
SMILESCC1=NN(C(=O)c2cc3ccccc3[nH]2)C(=O)C1
InChIInChI=1S/C13H11N3O2/c1-8-6-12(17)16(15-8)13(18)11-7-9-4-2-3-5-10(9)14-11/h2-5,7,14H,6H2,1H3
InChIKeyHYEGUDXEHFUDMT-UHFFFAOYSA-N
XLogP1.92
TPSA65.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 134120748
(4,4-dimethylpiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 55155671
4-(1H-indole-2-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 34224299
ethane;1H-indole-2-carboxylic acid
CID 91052830
(3-aminoazetidin-1-yl)-(1H-indol-2-yl)methanone
CID 65244567
1H-indol-2-yl(morpholin-4-yl)methanone
CID 825286
1H-indol-2-yl(piperazin-1-yl)methanone;hydrochloride
CID 47003021
1H-indol-2-yl-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 54975611
1H-indol-2-yl-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 9326892
5-(aminomethyl)-2-(1H-indole-2-carbonyl)-1H-pyrazol-3-one
CID 112536611
(4,4-difluoropiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 68887703
1H-indole-2-carbothioic S-acid
CID 4713092

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indole-2-carbonyl)-5-methyl-4H-pyrazol-3-one?
The IUPAC name of 2-(1H-indole-2-carbonyl)-5-methyl-4H-pyrazol-3-one (CID 131876108) is 2-(1H-indole-2-carbonyl)-5-methyl-4H-pyrazol-3-one.
What is the SMILES notation for 2-(1H-indole-2-carbonyl)-5-methyl-4H-pyrazol-3-one?
The canonical SMILES for 2-(1H-indole-2-carbonyl)-5-methyl-4H-pyrazol-3-one is CC1=NN(C(=O)c2cc3ccccc3[nH]2)C(=O)C1.
What is the InChIKey of 2-(1H-indole-2-carbonyl)-5-methyl-4H-pyrazol-3-one?
The InChIKey is HYEGUDXEHFUDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-8-6-12(17)16(15-8)13(18)11-7-9-4-2-3-5-10(9)14-11/h2-5,7,14H,6H2,1H3.
What are the key properties of 2-(1H-indole-2-carbonyl)-5-methyl-4H-pyrazol-3-one?
2-(1H-indole-2-carbonyl)-5-methyl-4H-pyrazol-3-one has a molecular weight of 241.25 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indole-2-carbonyl)-5-methyl-4H-pyrazol-3-one is sourced from PubChem (CID 131876108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).