3-(3-methyl-1H-indol-5-yl)-1H-pyrazole-5-carboxylic acid

C13H11N3O2 — CID 82387523

IUPAC3-(3-methyl-1H-indol-5-yl)-1H-pyrazole-5-carboxylic acid
SMILESCc1c[nH]c2ccc(-c3cc(C(=O)O)[nH]n3)cc12
InChIInChI=1S/C13H11N3O2/c1-7-6-14-10-3-2-8(4-9(7)10)11-5-12(13(17)18)16-15-11/h2-6,14H,1H3,(H,15,16)(H,17,18)
InChIKeyARTZNRVEDZXYON-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.56
Rot. Bonds2

About 3-(3-methyl-1H-indol-5-yl)-1H-pyrazole-5-carboxylic acid

3-(3-methyl-1H-indol-5-yl)-1H-pyrazole-5-carboxylic acid (PubChem CID 82387523) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-(3-methyl-1H-indol-5-yl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(3-methyl-1H-indol-5-yl)-1H-pyrazole-5-carboxylic acid
PubChem CID82387523
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name3-(3-methyl-1H-indol-5-yl)-1H-pyrazole-5-carboxylic acid
SMILESCc1c[nH]c2ccc(-c3cc(C(=O)O)[nH]n3)cc12
InChIInChI=1S/C13H11N3O2/c1-7-6-14-10-3-2-8(4-9(7)10)11-5-12(13(17)18)16-15-11/h2-6,14H,1H3,(H,15,16)(H,17,18)
InChIKeyARTZNRVEDZXYON-UHFFFAOYSA-N
XLogP2.56
TPSA81.77 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-methyl-1H-indol-5-yl)-1,2-oxazole-5-carboxylic acid
CID 82373607
3-(3-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117310670
5-(3-methyl-1H-indol-5-yl)-1,2-oxazole-3-carboxylic acid
CID 82387136
3-(4-methyl-3-phenylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117446021
3-(4-methyl-3-methylsulfonylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117449866
3-[3-(difluoromethyl)-4-methylphenyl]-1H-pyrazole-5-carboxylic acid
CID 117383202
1-methyl-5-(3-methyl-1H-indol-5-yl)pyrazole-3-carboxylic acid
CID 117390911
3-(2H-benzotriazol-5-yl)-1H-pyrazole-5-carboxylic acid
CID 117329834
3-(2-methyl-1-benzofuran-6-yl)-1H-pyrazole-5-carboxylic acid
CID 117357206
3-(3-hydroxy-4,5-dimethylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117336053
3-(3-bromo-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 64592596
3-(3-bromophenyl)-1H-pyrazole-5-carboxylic acid;ethane
CID 143798874

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1H-indol-5-yl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(3-methyl-1H-indol-5-yl)-1H-pyrazole-5-carboxylic acid (CID 82387523) is 3-(3-methyl-1H-indol-5-yl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(3-methyl-1H-indol-5-yl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(3-methyl-1H-indol-5-yl)-1H-pyrazole-5-carboxylic acid is Cc1c[nH]c2ccc(-c3cc(C(=O)O)[nH]n3)cc12.
What is the InChIKey of 3-(3-methyl-1H-indol-5-yl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is ARTZNRVEDZXYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-7-6-14-10-3-2-8(4-9(7)10)11-5-12(13(17)18)16-15-11/h2-6,14H,1H3,(H,15,16)(H,17,18).
What are the key properties of 3-(3-methyl-1H-indol-5-yl)-1H-pyrazole-5-carboxylic acid?
3-(3-methyl-1H-indol-5-yl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 241.25 g/mol, XLogP of 2.56, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-1H-indol-5-yl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 82387523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).