3-(7-chloro-2-methyl-1H-indol-3-yl)-1-methylpyrazole-5-carboxylic acid

C14H12ClN3O2 — CID 136986034

IUPAC3-(7-chloro-2-methyl-1H-indol-3-yl)-1-methylpyrazole-5-carboxylic acid
SMILESCc1[nH]c2c(Cl)cccc2c1-c1cc(C(=O)O)n(C)n1
InChIInChI=1S/C14H12ClN3O2/c1-7-12(8-4-3-5-9(15)13(8)16-7)10-6-11(14(19)20)18(2)17-10/h3-6,16H,1-2H3,(H,19,20)
InChIKeyGPEXNRMILCGANK-UHFFFAOYSA-N
MW289.72 g/mol
LogP3.23
Rot. Bonds2

About 3-(7-chloro-2-methyl-1H-indol-3-yl)-1-methylpyrazole-5-carboxylic acid

3-(7-chloro-2-methyl-1H-indol-3-yl)-1-methylpyrazole-5-carboxylic acid (PubChem CID 136986034) has the molecular formula C14H12ClN3O2 and a molecular weight of 289.72 g/mol. Its IUPAC name is 3-(7-chloro-2-methyl-1H-indol-3-yl)-1-methylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(7-chloro-2-methyl-1H-indol-3-yl)-1-methylpyrazole-5-carboxylic acid
PubChem CID136986034
Molecular FormulaC14H12ClN3O2
Molecular Weight289.72 g/mol
Exact Mass289.06
IUPAC Name3-(7-chloro-2-methyl-1H-indol-3-yl)-1-methylpyrazole-5-carboxylic acid
SMILESCc1[nH]c2c(Cl)cccc2c1-c1cc(C(=O)O)n(C)n1
InChIInChI=1S/C14H12ClN3O2/c1-7-12(8-4-3-5-9(15)13(8)16-7)10-6-11(14(19)20)18(2)17-10/h3-6,16H,1-2H3,(H,19,20)
InChIKeyGPEXNRMILCGANK-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

1-methyl-3-(3-methylphenyl)pyrazole-5-carboxylic acid
CID 13370519
3-(7-methoxy-1,2-dimethylindol-3-yl)-1-methylpyrazole-5-carboxylic acid
CID 115108555
3-bromo-7-chloro-1H-indole-2-carboxylic acid
CID 84810523
3-(5-chlorothiophen-2-yl)-1-methylpyrazole-5-carboxylic acid
CID 82293487
8-chloro-2-oxo-1H-quinoline-4-carboxylic acid
CID 670543
3-(4-hydroxy-1-methylindol-2-yl)-1-methylpyrazole-5-carboxylic acid
CID 136985713
1-[4-(7-chloro-2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]ethanone
CID 110850320
3-(3-chloro-4-methoxyphenyl)-1-methylpyrazole-5-carboxylic acid
CID 82304555
3-(4-chloro-2-methyl-1H-indol-3-yl)-1-methylpyrazol-5-amine
CID 136986109
2-bromo-7-chloro-1H-indole-3-carboxylic acid
CID 83826113
7-chloro-3-iodo-2-methyl-1H-indole
CID 130049382
1-methyl-3-(5-methyl-1H-indol-3-yl)pyrazole-5-carboxylic acid
CID 136985979

Frequently Asked Questions

What is the IUPAC name of 3-(7-chloro-2-methyl-1H-indol-3-yl)-1-methylpyrazole-5-carboxylic acid?
The IUPAC name of 3-(7-chloro-2-methyl-1H-indol-3-yl)-1-methylpyrazole-5-carboxylic acid (CID 136986034) is 3-(7-chloro-2-methyl-1H-indol-3-yl)-1-methylpyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(7-chloro-2-methyl-1H-indol-3-yl)-1-methylpyrazole-5-carboxylic acid?
The canonical SMILES for 3-(7-chloro-2-methyl-1H-indol-3-yl)-1-methylpyrazole-5-carboxylic acid is Cc1[nH]c2c(Cl)cccc2c1-c1cc(C(=O)O)n(C)n1.
What is the InChIKey of 3-(7-chloro-2-methyl-1H-indol-3-yl)-1-methylpyrazole-5-carboxylic acid?
The InChIKey is GPEXNRMILCGANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2/c1-7-12(8-4-3-5-9(15)13(8)16-7)10-6-11(14(19)20)18(2)17-10/h3-6,16H,1-2H3,(H,19,20).
What are the key properties of 3-(7-chloro-2-methyl-1H-indol-3-yl)-1-methylpyrazole-5-carboxylic acid?
3-(7-chloro-2-methyl-1H-indol-3-yl)-1-methylpyrazole-5-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 3-(7-chloro-2-methyl-1H-indol-3-yl)-1-methylpyrazole-5-carboxylic acid is sourced from PubChem (CID 136986034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).