1-methyl-5-(1-methyl-2,3-dihydroindol-5-yl)pyrazole-3-carboxylic acid

C14H15N3O2 — CID 117396362

IUPAC1-methyl-5-(1-methyl-2,3-dihydroindol-5-yl)pyrazole-3-carboxylic acid
SMILESCN1CCc2cc(-c3cc(C(=O)O)nn3C)ccc21
InChIInChI=1S/C14H15N3O2/c1-16-6-5-10-7-9(3-4-12(10)16)13-8-11(14(18)19)15-17(13)2/h3-4,7-8H,5-6H2,1-2H3,(H,18,19)
InChIKeyAEYPAUJLKKVTJW-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.78
Rot. Bonds2

About 1-methyl-5-(1-methyl-2,3-dihydroindol-5-yl)pyrazole-3-carboxylic acid

1-methyl-5-(1-methyl-2,3-dihydroindol-5-yl)pyrazole-3-carboxylic acid (PubChem CID 117396362) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-methyl-5-(1-methyl-2,3-dihydroindol-5-yl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-(1-methyl-2,3-dihydroindol-5-yl)pyrazole-3-carboxylic acid
PubChem CID117396362
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name1-methyl-5-(1-methyl-2,3-dihydroindol-5-yl)pyrazole-3-carboxylic acid
SMILESCN1CCc2cc(-c3cc(C(=O)O)nn3C)ccc21
InChIInChI=1S/C14H15N3O2/c1-16-6-5-10-7-9(3-4-12(10)16)13-8-11(14(18)19)15-17(13)2/h3-4,7-8H,5-6H2,1-2H3,(H,18,19)
InChIKeyAEYPAUJLKKVTJW-UHFFFAOYSA-N
XLogP1.78
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)-1-methylpyrazole-3-carboxylic acid
CID 117461912
5-(1-acetyl-2,3-dihydroindol-6-yl)-1-methylpyrazole-3-carboxylic acid
CID 117459383
5-(3,4-dihydro-1H-isochromen-6-yl)-1-methylpyrazole-3-carboxylic acid
CID 117399136
5-(3,4-difluorophenyl)-1-methylpyrazole-3-carboxylic acid
CID 71292511
5-(3-chloro-4-methylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 168912055
1-methyl-5-quinoxalin-6-ylpyrazole-3-carboxylic acid
CID 117388457
1-methyl-5-(2-methyl-3,4-dihydro-2H-chromen-7-yl)pyrazole-3-carboxylic acid
CID 117433583
1-methyl-5-(3-methyl-1H-indol-5-yl)pyrazole-3-carboxylic acid
CID 117390911
5-(5-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1-methylpyrazole-3-carboxylic acid
CID 136968295
1-methyl-5-(4-morpholin-4-ylphenyl)pyrazole-3-carboxylic acid
CID 112710654
5-(3-fluoro-4-methylsulfanylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117419463
5-(3-hydroxy-4-methylsulfanylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117414983

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(1-methyl-2,3-dihydroindol-5-yl)pyrazole-3-carboxylic acid?
The IUPAC name of 1-methyl-5-(1-methyl-2,3-dihydroindol-5-yl)pyrazole-3-carboxylic acid (CID 117396362) is 1-methyl-5-(1-methyl-2,3-dihydroindol-5-yl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-methyl-5-(1-methyl-2,3-dihydroindol-5-yl)pyrazole-3-carboxylic acid?
The canonical SMILES for 1-methyl-5-(1-methyl-2,3-dihydroindol-5-yl)pyrazole-3-carboxylic acid is CN1CCc2cc(-c3cc(C(=O)O)nn3C)ccc21.
What is the InChIKey of 1-methyl-5-(1-methyl-2,3-dihydroindol-5-yl)pyrazole-3-carboxylic acid?
The InChIKey is AEYPAUJLKKVTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-16-6-5-10-7-9(3-4-12(10)16)13-8-11(14(18)19)15-17(13)2/h3-4,7-8H,5-6H2,1-2H3,(H,18,19).
What are the key properties of 1-methyl-5-(1-methyl-2,3-dihydroindol-5-yl)pyrazole-3-carboxylic acid?
1-methyl-5-(1-methyl-2,3-dihydroindol-5-yl)pyrazole-3-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(1-methyl-2,3-dihydroindol-5-yl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 117396362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).