5-(5-chloro-2-methyl-1H-indol-3-yl)-1-methylpyrazole-4-carboxylic acid

C14H12ClN3O2 — CID 136986309

IUPAC5-(5-chloro-2-methyl-1H-indol-3-yl)-1-methylpyrazole-4-carboxylic acid
SMILESCc1[nH]c2ccc(Cl)cc2c1-c1c(C(=O)O)cnn1C
InChIInChI=1S/C14H12ClN3O2/c1-7-12(9-5-8(15)3-4-11(9)17-7)13-10(14(19)20)6-16-18(13)2/h3-6,17H,1-2H3,(H,19,20)
InChIKeyMAGQSUYQIGNTIQ-UHFFFAOYSA-N
MW289.72 g/mol
LogP3.23
Rot. Bonds2

About 5-(5-chloro-2-methyl-1H-indol-3-yl)-1-methylpyrazole-4-carboxylic acid

5-(5-chloro-2-methyl-1H-indol-3-yl)-1-methylpyrazole-4-carboxylic acid (PubChem CID 136986309) has the molecular formula C14H12ClN3O2 and a molecular weight of 289.72 g/mol. Its IUPAC name is 5-(5-chloro-2-methyl-1H-indol-3-yl)-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(5-chloro-2-methyl-1H-indol-3-yl)-1-methylpyrazole-4-carboxylic acid
PubChem CID136986309
Molecular FormulaC14H12ClN3O2
Molecular Weight289.72 g/mol
Exact Mass289.06
IUPAC Name5-(5-chloro-2-methyl-1H-indol-3-yl)-1-methylpyrazole-4-carboxylic acid
SMILESCc1[nH]c2ccc(Cl)cc2c1-c1c(C(=O)O)cnn1C
InChIInChI=1S/C14H12ClN3O2/c1-7-12(9-5-8(15)3-4-11(9)17-7)13-10(14(19)20)6-16-18(13)2/h3-6,17H,1-2H3,(H,19,20)
InChIKeyMAGQSUYQIGNTIQ-UHFFFAOYSA-N
XLogP3.23
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(5-methoxy-2-methyl-1H-indol-3-yl)-1-methylpyrazole-4-carboxylic acid
CID 136986331
5-(6-chloro-1-methylindol-3-yl)-1-methylpyrazole-4-carboxylic acid
CID 115108940
1-methyl-5-(2,4,6-trimethylphenyl)pyrazole-4-carboxylic acid
CID 82294230
5-(2,5-dimethyl-1H-indol-3-yl)-1-methylpyrazol-4-amine
CID 136986277
5-(5-methoxy-2-methyl-1H-indol-3-yl)-1-methylpyrazol-4-amine
CID 136986323
[5-(5-chloro-2-methyl-1H-indol-3-yl)-3-pyridinyl]sulfonyl-methylcarbamic acid
CID 130302615
5-(4-chloro-1,2-dimethylindol-3-yl)-1-methylpyrazole-4-carboxylic acid
CID 115109214
5-(6-hydroxy-1H-indol-2-yl)-1-methylpyrazole-4-carboxylic acid
CID 136986451
1-methyl-5-(2-methylpyrazol-3-yl)pyrazole-4-carboxylic acid
CID 130678199
1-methyl-5-(3,4,5-trifluorophenyl)pyrazole-4-carboxylic acid
CID 167964096
5-(5-fluoro-2-methyl-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid
CID 136986306
2-(5-chloro-2-methyl-1H-indol-3-yl)-4-phenyl-1,3-thiazole
CID 102490378

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-methyl-1H-indol-3-yl)-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 5-(5-chloro-2-methyl-1H-indol-3-yl)-1-methylpyrazole-4-carboxylic acid (CID 136986309) is 5-(5-chloro-2-methyl-1H-indol-3-yl)-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(5-chloro-2-methyl-1H-indol-3-yl)-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-(5-chloro-2-methyl-1H-indol-3-yl)-1-methylpyrazole-4-carboxylic acid is Cc1[nH]c2ccc(Cl)cc2c1-c1c(C(=O)O)cnn1C.
What is the InChIKey of 5-(5-chloro-2-methyl-1H-indol-3-yl)-1-methylpyrazole-4-carboxylic acid?
The InChIKey is MAGQSUYQIGNTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2/c1-7-12(9-5-8(15)3-4-11(9)17-7)13-10(14(19)20)6-16-18(13)2/h3-6,17H,1-2H3,(H,19,20).
What are the key properties of 5-(5-chloro-2-methyl-1H-indol-3-yl)-1-methylpyrazole-4-carboxylic acid?
5-(5-chloro-2-methyl-1H-indol-3-yl)-1-methylpyrazole-4-carboxylic acid has a molecular weight of 289.72 g/mol, XLogP of 3.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-methyl-1H-indol-3-yl)-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 136986309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).