5-methyl-1-(1-methylindol-3-yl)pyrazole-4-carboxylic acid

C14H13N3O2 — CID 82482197

IUPAC5-methyl-1-(1-methylindol-3-yl)pyrazole-4-carboxylic acid
SMILESCc1c(C(=O)O)cnn1-c1cn(C)c2ccccc12
InChIInChI=1S/C14H13N3O2/c1-9-11(14(18)19)7-15-17(9)13-8-16(2)12-6-4-3-5-10(12)13/h3-8H,1-2H3,(H,18,19)
InChIKeyXCMUENVHGBBQGG-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.37
Rot. Bonds2

About 5-methyl-1-(1-methylindol-3-yl)pyrazole-4-carboxylic acid

5-methyl-1-(1-methylindol-3-yl)pyrazole-4-carboxylic acid (PubChem CID 82482197) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 5-methyl-1-(1-methylindol-3-yl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-(1-methylindol-3-yl)pyrazole-4-carboxylic acid
PubChem CID82482197
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name5-methyl-1-(1-methylindol-3-yl)pyrazole-4-carboxylic acid
SMILESCc1c(C(=O)O)cnn1-c1cn(C)c2ccccc12
InChIInChI=1S/C14H13N3O2/c1-9-11(14(18)19)7-15-17(9)13-8-16(2)12-6-4-3-5-10(12)13/h3-8H,1-2H3,(H,18,19)
InChIKeyXCMUENVHGBBQGG-UHFFFAOYSA-N
XLogP2.37
TPSA60.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-1-(2-propan-2-ylphenyl)pyrazole-4-carboxylic acid
CID 82085458
1-(2-bromophenyl)-5-methylpyrazole-4-carboxylic acid
CID 43542795
1-(3-chloro-2-fluorophenyl)-5-methylpyrazole-4-carboxylic acid
CID 71255447
1,5-dimethyl-N-(1-methylindol-3-yl)sulfonylpyrazole-4-carboxamide
CID 71967386
ethane;2-(1-methylindol-3-yl)-2-oxoacetic acid
CID 91016552
1-(4-tert-butylphenyl)-5-methylpyrazole-4-carboxylic acid
CID 82089556
5-methyl-1-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazole-4-carboxylic acid
CID 71104706
1-methylindole-3-carbothioic S-acid
CID 116918837
5-(1,2-dimethylindol-3-yl)-1H-pyrazole-4-carboxylic acid
CID 82299165
5-(1,2-dimethylindol-3-yl)-1,2-oxazole-4-carboxylic acid
CID 82299507
1-(2-methylpyrazol-3-yl)indole-3-carboxylic acid
CID 152744497
3-indazol-1-yl-2-methylbenzoic acid
CID 19744370

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(1-methylindol-3-yl)pyrazole-4-carboxylic acid?
The IUPAC name of 5-methyl-1-(1-methylindol-3-yl)pyrazole-4-carboxylic acid (CID 82482197) is 5-methyl-1-(1-methylindol-3-yl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-1-(1-methylindol-3-yl)pyrazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-1-(1-methylindol-3-yl)pyrazole-4-carboxylic acid is Cc1c(C(=O)O)cnn1-c1cn(C)c2ccccc12.
What is the InChIKey of 5-methyl-1-(1-methylindol-3-yl)pyrazole-4-carboxylic acid?
The InChIKey is XCMUENVHGBBQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-9-11(14(18)19)7-15-17(9)13-8-16(2)12-6-4-3-5-10(12)13/h3-8H,1-2H3,(H,18,19).
What are the key properties of 5-methyl-1-(1-methylindol-3-yl)pyrazole-4-carboxylic acid?
5-methyl-1-(1-methylindol-3-yl)pyrazole-4-carboxylic acid has a molecular weight of 255.28 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(1-methylindol-3-yl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 82482197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).