3-(1-methyl-2-oxo-3H-indol-5-yl)-1-prop-2-enylpyrazole-5-carboxylic acid

C16H15N3O3 — CID 82308194

IUPAC3-(1-methyl-2-oxo-3H-indol-5-yl)-1-prop-2-enylpyrazole-5-carboxylic acid
SMILESC=CCn1nc(-c2ccc3c(c2)CC(=O)N3C)cc1C(=O)O
InChIInChI=1S/C16H15N3O3/c1-3-6-19-14(16(21)22)9-12(17-19)10-4-5-13-11(7-10)8-15(20)18(13)2/h3-5,7,9H,1,6,8H2,2H3,(H,21,22)
InChIKeyUIGZKBZJSYDBNJ-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.95
Rot. Bonds4

About 3-(1-methyl-2-oxo-3H-indol-5-yl)-1-prop-2-enylpyrazole-5-carboxylic acid

3-(1-methyl-2-oxo-3H-indol-5-yl)-1-prop-2-enylpyrazole-5-carboxylic acid (PubChem CID 82308194) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 3-(1-methyl-2-oxo-3H-indol-5-yl)-1-prop-2-enylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(1-methyl-2-oxo-3H-indol-5-yl)-1-prop-2-enylpyrazole-5-carboxylic acid
PubChem CID82308194
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name3-(1-methyl-2-oxo-3H-indol-5-yl)-1-prop-2-enylpyrazole-5-carboxylic acid
SMILESC=CCn1nc(-c2ccc3c(c2)CC(=O)N3C)cc1C(=O)O
InChIInChI=1S/C16H15N3O3/c1-3-6-19-14(16(21)22)9-12(17-19)10-4-5-13-11(7-10)8-15(20)18(13)2/h3-5,7,9H,1,6,8H2,2H3,(H,21,22)
InChIKeyUIGZKBZJSYDBNJ-UHFFFAOYSA-N
XLogP1.95
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chloro-3-methylphenyl)-1-prop-2-enylpyrazole-5-carboxylic acid
CID 84761172
3-(4-methoxyphenyl)-1-prop-2-enylpyrazole-5-carboxylic acid
CID 82300302
3-(4-methyl-3-nitrophenyl)-1-prop-2-enylpyrazole-5-carboxylic acid
CID 84761192
3-(3-chlorophenyl)-1-prop-2-enylpyrazole-5-carboxylic acid
CID 84761196
2-methyl-4-(1-methyl-2-oxo-3H-indol-5-yl)-1H-imidazole-5-carboxylic acid
CID 82306063
1-prop-2-enyl-3-pyridin-2-ylpyrazole-5-carboxylic acid
CID 84761183
5-[2-(hydroxymethyl)pyrimidin-4-yl]-1-methyl-3H-indol-2-one
CID 116899433
4-(1-methyl-2-oxo-3H-indol-5-yl)-5-oxo-1,2-dihydropyrazole-3-carboxylic acid
CID 82488652
4-(1-methyl-2-oxo-3H-indol-5-yl)thiophene-3-carboxylic acid
CID 82488719
4-(1-methyl-2-oxo-3H-indol-5-yl)-1,3-oxazole-5-carboxylic acid
CID 82300289
5-(3-amino-1,2,4-triazin-5-yl)-1-methyl-3H-indol-2-one
CID 82387510
5-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-1-methyl-3H-indol-2-one
CID 9421508

Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-2-oxo-3H-indol-5-yl)-1-prop-2-enylpyrazole-5-carboxylic acid?
The IUPAC name of 3-(1-methyl-2-oxo-3H-indol-5-yl)-1-prop-2-enylpyrazole-5-carboxylic acid (CID 82308194) is 3-(1-methyl-2-oxo-3H-indol-5-yl)-1-prop-2-enylpyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(1-methyl-2-oxo-3H-indol-5-yl)-1-prop-2-enylpyrazole-5-carboxylic acid?
The canonical SMILES for 3-(1-methyl-2-oxo-3H-indol-5-yl)-1-prop-2-enylpyrazole-5-carboxylic acid is C=CCn1nc(-c2ccc3c(c2)CC(=O)N3C)cc1C(=O)O.
What is the InChIKey of 3-(1-methyl-2-oxo-3H-indol-5-yl)-1-prop-2-enylpyrazole-5-carboxylic acid?
The InChIKey is UIGZKBZJSYDBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-3-6-19-14(16(21)22)9-12(17-19)10-4-5-13-11(7-10)8-15(20)18(13)2/h3-5,7,9H,1,6,8H2,2H3,(H,21,22).
What are the key properties of 3-(1-methyl-2-oxo-3H-indol-5-yl)-1-prop-2-enylpyrazole-5-carboxylic acid?
3-(1-methyl-2-oxo-3H-indol-5-yl)-1-prop-2-enylpyrazole-5-carboxylic acid has a molecular weight of 297.31 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-2-oxo-3H-indol-5-yl)-1-prop-2-enylpyrazole-5-carboxylic acid is sourced from PubChem (CID 82308194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).