1-methyl-3-(5-methyl-1H-indol-3-yl)pyrazole-5-carboxylic acid

C14H13N3O2 — CID 136985979

IUPAC1-methyl-3-(5-methyl-1H-indol-3-yl)pyrazole-5-carboxylic acid
SMILESCc1ccc2[nH]cc(-c3cc(C(=O)O)n(C)n3)c2c1
InChIInChI=1S/C14H13N3O2/c1-8-3-4-11-9(5-8)10(7-15-11)12-6-13(14(18)19)17(2)16-12/h3-7,15H,1-2H3,(H,18,19)
InChIKeyCJKPHTHPJDJNBT-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.58
Rot. Bonds2

About 1-methyl-3-(5-methyl-1H-indol-3-yl)pyrazole-5-carboxylic acid

1-methyl-3-(5-methyl-1H-indol-3-yl)pyrazole-5-carboxylic acid (PubChem CID 136985979) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 1-methyl-3-(5-methyl-1H-indol-3-yl)pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-methyl-3-(5-methyl-1H-indol-3-yl)pyrazole-5-carboxylic acid
PubChem CID136985979
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name1-methyl-3-(5-methyl-1H-indol-3-yl)pyrazole-5-carboxylic acid
SMILESCc1ccc2[nH]cc(-c3cc(C(=O)O)n(C)n3)c2c1
InChIInChI=1S/C14H13N3O2/c1-8-3-4-11-9(5-8)10(7-15-11)12-6-13(14(18)19)17(2)16-12/h3-7,15H,1-2H3,(H,18,19)
InChIKeyCJKPHTHPJDJNBT-UHFFFAOYSA-N
XLogP2.58
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-fluoro-1H-indol-3-yl)-1-methylpyrazole-5-carboxylic acid
CID 136985983
6-(5-methyl-1H-indol-3-yl)pyridine-2-carboxylic acid
CID 82382362
1-methyl-3-(3-methylphenyl)pyrazole-5-carboxylic acid
CID 13370519
2-(5-methyl-1H-indol-3-yl)-1H-imidazole-5-carboxylic acid
CID 82387535
1-methyl-5-(6-methyl-1H-indol-3-yl)pyrazole-3-carboxylic acid
CID 136985862
3-(4-tert-butyl-2-methylphenyl)-1-methylpyrazole-5-carboxylic acid
CID 82488597
3-(6-methyl-1H-indol-3-yl)-1,2-oxazole-5-carboxylic acid
CID 136985961
1-[4-[6-(5-methyl-1H-indol-3-yl)-2-pyridinyl]-1,4-diazepan-1-yl]ethanone
CID 90145373
3,4-bis(5-methyl-1H-indol-3-yl)pyrrole-2,5-dione
CID 22410468
3-(5-hydroxy-1H-indol-2-yl)-1-methylpyrazole-5-carboxylic acid
CID 136985667
3-(3-methylphenyl)-1H-indole-5-carboxylic acid
CID 171776998
5-methyl-3-[3-(1,2,4-triazol-4-yl)phenyl]-1H-indole
CID 56708546

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(5-methyl-1H-indol-3-yl)pyrazole-5-carboxylic acid?
The IUPAC name of 1-methyl-3-(5-methyl-1H-indol-3-yl)pyrazole-5-carboxylic acid (CID 136985979) is 1-methyl-3-(5-methyl-1H-indol-3-yl)pyrazole-5-carboxylic acid.
What is the SMILES notation for 1-methyl-3-(5-methyl-1H-indol-3-yl)pyrazole-5-carboxylic acid?
The canonical SMILES for 1-methyl-3-(5-methyl-1H-indol-3-yl)pyrazole-5-carboxylic acid is Cc1ccc2[nH]cc(-c3cc(C(=O)O)n(C)n3)c2c1.
What is the InChIKey of 1-methyl-3-(5-methyl-1H-indol-3-yl)pyrazole-5-carboxylic acid?
The InChIKey is CJKPHTHPJDJNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-8-3-4-11-9(5-8)10(7-15-11)12-6-13(14(18)19)17(2)16-12/h3-7,15H,1-2H3,(H,18,19).
What are the key properties of 1-methyl-3-(5-methyl-1H-indol-3-yl)pyrazole-5-carboxylic acid?
1-methyl-3-(5-methyl-1H-indol-3-yl)pyrazole-5-carboxylic acid has a molecular weight of 255.28 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(5-methyl-1H-indol-3-yl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 136985979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).