5-(6-chloro-1,2-dimethylindol-3-yl)-1H-pyrazole-4-carboxylic acid

C14H12ClN3O2 — CID 115108943

IUPAC5-(6-chloro-1,2-dimethylindol-3-yl)-1H-pyrazole-4-carboxylic acid
SMILESCc1c(-c2[nH]ncc2C(=O)O)c2ccc(Cl)cc2n1C
InChIInChI=1S/C14H12ClN3O2/c1-7-12(13-10(14(19)20)6-16-17-13)9-4-3-8(15)5-11(9)18(7)2/h3-6H,1-2H3,(H,16,17)(H,19,20)
InChIKeyYWTZQQPLIXWFDC-UHFFFAOYSA-N
MW289.72 g/mol
LogP3.23
Rot. Bonds2

About 5-(6-chloro-1,2-dimethylindol-3-yl)-1H-pyrazole-4-carboxylic acid

5-(6-chloro-1,2-dimethylindol-3-yl)-1H-pyrazole-4-carboxylic acid (PubChem CID 115108943) has the molecular formula C14H12ClN3O2 and a molecular weight of 289.72 g/mol. Its IUPAC name is 5-(6-chloro-1,2-dimethylindol-3-yl)-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(6-chloro-1,2-dimethylindol-3-yl)-1H-pyrazole-4-carboxylic acid
PubChem CID115108943
Molecular FormulaC14H12ClN3O2
Molecular Weight289.72 g/mol
Exact Mass289.06
IUPAC Name5-(6-chloro-1,2-dimethylindol-3-yl)-1H-pyrazole-4-carboxylic acid
SMILESCc1c(-c2[nH]ncc2C(=O)O)c2ccc(Cl)cc2n1C
InChIInChI=1S/C14H12ClN3O2/c1-7-12(13-10(14(19)20)6-16-17-13)9-4-3-8(15)5-11(9)18(7)2/h3-6H,1-2H3,(H,16,17)(H,19,20)
InChIKeyYWTZQQPLIXWFDC-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-1,2-dimethylindol-3-yl)-1H-pyrazole-4-carboxylic acid
CID 115109119
6-chloro-4-methyl-2H-pyrazolo[3,4-b]indole-1-carboxylic acid
CID 82279624
3-(7-chloro-1,2-dimethyl-4-oxoquinolin-3-yl)propanoic acid
CID 82248917
(6-chloro-1,2-dimethylindol-3-yl)methanamine
CID 82492537
6-chloro-1,2-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole
CID 84638446
5-(5-fluoro-2-methyl-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid
CID 136986306
5-(4-chloro-2-methyl-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid
CID 136986379
2-(2-chlorocarbazol-9-yl)benzoic acid
CID 22075911
3-(6-chloro-1,2-dimethylindol-3-yl)-3-methylbutanoic acid
CID 84642675
5-(5-chloro-2,4-dihydroxyphenyl)-1H-pyrazole-4-carboxylic acid
CID 135732771
5-(6-methyl-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid
CID 136986210
3-(6-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazole-5-carboxylic acid
CID 115108598

Frequently Asked Questions

What is the IUPAC name of 5-(6-chloro-1,2-dimethylindol-3-yl)-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-(6-chloro-1,2-dimethylindol-3-yl)-1H-pyrazole-4-carboxylic acid (CID 115108943) is 5-(6-chloro-1,2-dimethylindol-3-yl)-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(6-chloro-1,2-dimethylindol-3-yl)-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-(6-chloro-1,2-dimethylindol-3-yl)-1H-pyrazole-4-carboxylic acid is Cc1c(-c2[nH]ncc2C(=O)O)c2ccc(Cl)cc2n1C.
What is the InChIKey of 5-(6-chloro-1,2-dimethylindol-3-yl)-1H-pyrazole-4-carboxylic acid?
The InChIKey is YWTZQQPLIXWFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2/c1-7-12(13-10(14(19)20)6-16-17-13)9-4-3-8(15)5-11(9)18(7)2/h3-6H,1-2H3,(H,16,17)(H,19,20).
What are the key properties of 5-(6-chloro-1,2-dimethylindol-3-yl)-1H-pyrazole-4-carboxylic acid?
5-(6-chloro-1,2-dimethylindol-3-yl)-1H-pyrazole-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-(6-chloro-1,2-dimethylindol-3-yl)-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 115108943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).