5-(4-chloro-1,2-dimethylindol-3-yl)-1-methylpyrazole-4-carboxylic acid

C15H14ClN3O2 — CID 115109214

IUPAC5-(4-chloro-1,2-dimethylindol-3-yl)-1-methylpyrazole-4-carboxylic acid
SMILESCc1c(-c2c(C(=O)O)cnn2C)c2c(Cl)cccc2n1C
InChIInChI=1S/C15H14ClN3O2/c1-8-12(14-9(15(20)21)7-17-19(14)3)13-10(16)5-4-6-11(13)18(8)2/h4-7H,1-3H3,(H,20,21)
InChIKeyGICKMFLHHNIGSA-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.24
Rot. Bonds2

About 5-(4-chloro-1,2-dimethylindol-3-yl)-1-methylpyrazole-4-carboxylic acid

5-(4-chloro-1,2-dimethylindol-3-yl)-1-methylpyrazole-4-carboxylic acid (PubChem CID 115109214) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is 5-(4-chloro-1,2-dimethylindol-3-yl)-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(4-chloro-1,2-dimethylindol-3-yl)-1-methylpyrazole-4-carboxylic acid
PubChem CID115109214
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Name5-(4-chloro-1,2-dimethylindol-3-yl)-1-methylpyrazole-4-carboxylic acid
SMILESCc1c(-c2c(C(=O)O)cnn2C)c2c(Cl)cccc2n1C
InChIInChI=1S/C15H14ClN3O2/c1-8-12(14-9(15(20)21)7-17-19(14)3)13-10(16)5-4-6-11(13)18(8)2/h4-7H,1-3H3,(H,20,21)
InChIKeyGICKMFLHHNIGSA-UHFFFAOYSA-N
XLogP3.24
TPSA60.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(4-chloro-1,2-dimethylindol-3-yl)-1-methylpyrazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-5-(2,4,6-trimethylphenyl)pyrazole-4-carboxylic acid
CID 82294230
5-(5-chloro-2-methyl-1H-indol-3-yl)-1-methylpyrazole-4-carboxylic acid
CID 136986309
1-methyl-5-(2-methylpyrazol-3-yl)pyrazole-4-carboxylic acid
CID 130678199
3-acetyl-1,2-dimethylindole-4-carboxylic acid
CID 83947145
1-methyl-5-pyridin-2-ylpyrazole-4-carboxylic acid
CID 83819574
5-(2-methoxy-4,5-dimethylphenyl)-1-methylpyrazole-4-carboxylic acid
CID 82301586
2-chloro-3-(1,5-dimethylpyrazol-4-yl)benzoic acid
CID 163208344
5-(6-chloro-1-methylindol-3-yl)-1-methylpyrazole-4-carboxylic acid
CID 115108940
1-(3-chloro-2-fluorophenyl)-5-methylpyrazole-4-carboxylic acid
CID 71255447
1-methyl-5-(3-methyl-1,2-thiazol-5-yl)pyrazole-4-carboxylic acid
CID 131070981
5-(6-hydroxy-1-methylindol-2-yl)-1-methylpyrazole-4-carboxylic acid
CID 136986454
5-(furan-3-yl)-1-methylpyrazole-4-carboxylic acid
CID 130711914

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-1,2-dimethylindol-3-yl)-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 5-(4-chloro-1,2-dimethylindol-3-yl)-1-methylpyrazole-4-carboxylic acid (CID 115109214) is 5-(4-chloro-1,2-dimethylindol-3-yl)-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(4-chloro-1,2-dimethylindol-3-yl)-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-(4-chloro-1,2-dimethylindol-3-yl)-1-methylpyrazole-4-carboxylic acid is Cc1c(-c2c(C(=O)O)cnn2C)c2c(Cl)cccc2n1C.
What is the InChIKey of 5-(4-chloro-1,2-dimethylindol-3-yl)-1-methylpyrazole-4-carboxylic acid?
The InChIKey is GICKMFLHHNIGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c1-8-12(14-9(15(20)21)7-17-19(14)3)13-10(16)5-4-6-11(13)18(8)2/h4-7H,1-3H3,(H,20,21).
What are the key properties of 5-(4-chloro-1,2-dimethylindol-3-yl)-1-methylpyrazole-4-carboxylic acid?
5-(4-chloro-1,2-dimethylindol-3-yl)-1-methylpyrazole-4-carboxylic acid has a molecular weight of 303.75 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-1,2-dimethylindol-3-yl)-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 115109214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).