3-(2,4-dimethyl-1H-indol-3-yl)-1H-pyrazole-5-carboxylic acid

C14H13N3O2 — CID 136986099

IUPAC3-(2,4-dimethyl-1H-indol-3-yl)-1H-pyrazole-5-carboxylic acid
SMILESCc1[nH]c2cccc(C)c2c1-c1cc(C(=O)O)[nH]n1
InChIInChI=1S/C14H13N3O2/c1-7-4-3-5-9-12(7)13(8(2)15-9)10-6-11(14(18)19)17-16-10/h3-6,15H,1-2H3,(H,16,17)(H,18,19)
InChIKeyZITDFCKYBYKQSR-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.87
Rot. Bonds2

About 3-(2,4-dimethyl-1H-indol-3-yl)-1H-pyrazole-5-carboxylic acid

3-(2,4-dimethyl-1H-indol-3-yl)-1H-pyrazole-5-carboxylic acid (PubChem CID 136986099) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 3-(2,4-dimethyl-1H-indol-3-yl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2,4-dimethyl-1H-indol-3-yl)-1H-pyrazole-5-carboxylic acid
PubChem CID136986099
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name3-(2,4-dimethyl-1H-indol-3-yl)-1H-pyrazole-5-carboxylic acid
SMILESCc1[nH]c2cccc(C)c2c1-c1cc(C(=O)O)[nH]n1
InChIInChI=1S/C14H13N3O2/c1-7-4-3-5-9-12(7)13(8(2)15-9)10-6-11(14(18)19)17-16-10/h3-6,15H,1-2H3,(H,16,17)(H,18,19)
InChIKeyZITDFCKYBYKQSR-UHFFFAOYSA-N
XLogP2.87
TPSA81.77 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-(6-methoxy-2-methyl-1H-indol-3-yl)-1H-pyrazole-5-carboxylic acid
CID 136986065
3-(2-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 83395825
2-(2,4-dimethyl-1H-indol-3-yl)-1H-pyrrole-3-carboxylic acid
CID 82381368
3-(2-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117336070
6-(4-chloro-2-methyl-1H-indol-3-yl)pyridine-3-carboxylic acid
CID 115110657
3-(2-hydroxy-4,6-dimethylphenyl)-1H-pyrazole-5-carboxylic acid
CID 137007277
4-methyl-1H-indazole-3-carboxylic acid;hydrochloride
CID 67853661
3-(3-bromo-2-hydroxy-5,6-dimethylphenyl)-1H-pyrazole-5-carboxylic acid
CID 136928659
5-(4-chloro-2-methyl-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid
CID 136986379
3-(6-chloro-2-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117420526
3-(4-hydroxy-2-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 137013113
3-(3-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117310670

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethyl-1H-indol-3-yl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(2,4-dimethyl-1H-indol-3-yl)-1H-pyrazole-5-carboxylic acid (CID 136986099) is 3-(2,4-dimethyl-1H-indol-3-yl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(2,4-dimethyl-1H-indol-3-yl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(2,4-dimethyl-1H-indol-3-yl)-1H-pyrazole-5-carboxylic acid is Cc1[nH]c2cccc(C)c2c1-c1cc(C(=O)O)[nH]n1.
What is the InChIKey of 3-(2,4-dimethyl-1H-indol-3-yl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is ZITDFCKYBYKQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-7-4-3-5-9-12(7)13(8(2)15-9)10-6-11(14(18)19)17-16-10/h3-6,15H,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 3-(2,4-dimethyl-1H-indol-3-yl)-1H-pyrazole-5-carboxylic acid?
3-(2,4-dimethyl-1H-indol-3-yl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 255.28 g/mol, XLogP of 2.87, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethyl-1H-indol-3-yl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 136986099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).