3-(6-methoxy-2-methyl-1H-indol-3-yl)-1H-pyrazole-5-carboxylic acid

C14H13N3O3 — CID 136986065

IUPAC3-(6-methoxy-2-methyl-1H-indol-3-yl)-1H-pyrazole-5-carboxylic acid
SMILESCOc1ccc2c(-c3cc(C(=O)O)[nH]n3)c(C)[nH]c2c1
InChIInChI=1S/C14H13N3O3/c1-7-13(11-6-12(14(18)19)17-16-11)9-4-3-8(20-2)5-10(9)15-7/h3-6,15H,1-2H3,(H,16,17)(H,18,19)
InChIKeyFPYCLNOSKMZXSG-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.57
Rot. Bonds3

About 3-(6-methoxy-2-methyl-1H-indol-3-yl)-1H-pyrazole-5-carboxylic acid

3-(6-methoxy-2-methyl-1H-indol-3-yl)-1H-pyrazole-5-carboxylic acid (PubChem CID 136986065) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 3-(6-methoxy-2-methyl-1H-indol-3-yl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(6-methoxy-2-methyl-1H-indol-3-yl)-1H-pyrazole-5-carboxylic acid
PubChem CID136986065
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name3-(6-methoxy-2-methyl-1H-indol-3-yl)-1H-pyrazole-5-carboxylic acid
SMILESCOc1ccc2c(-c3cc(C(=O)O)[nH]n3)c(C)[nH]c2c1
InChIInChI=1S/C14H13N3O3/c1-7-13(11-6-12(14(18)19)17-16-11)9-4-3-8(20-2)5-10(9)15-7/h3-6,15H,1-2H3,(H,16,17)(H,18,19)
InChIKeyFPYCLNOSKMZXSG-UHFFFAOYSA-N
XLogP2.57
TPSA91.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazole-5-carboxylic acid
CID 115108598
3-(2,4-dimethyl-1H-indol-3-yl)-1H-pyrazole-5-carboxylic acid
CID 136986099
3-(3-bromo-6-methoxy-2-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117495839
3-(6-chloro-2-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117420526
3-(3-chloro-6-fluoro-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 117429469
3-(3-methoxy-5-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117336054
(4-fluorophenyl)-(6-methoxy-2-methyl-1H-indol-3-yl)methanone
CID 154187614
3-(3-fluoro-6-methoxy-2-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117378395
3-(2,3-dimethoxy-5,6-dimethylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117442260
3-(2-fluoro-3,6-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 117419215
3-(2-methoxypyrimidin-4-yl)-1H-pyrazole-5-carboxylic acid
CID 70873436
2-(6-methoxy-2-methyl-1H-indol-3-yl)ethanol
CID 50923036

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-2-methyl-1H-indol-3-yl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(6-methoxy-2-methyl-1H-indol-3-yl)-1H-pyrazole-5-carboxylic acid (CID 136986065) is 3-(6-methoxy-2-methyl-1H-indol-3-yl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(6-methoxy-2-methyl-1H-indol-3-yl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(6-methoxy-2-methyl-1H-indol-3-yl)-1H-pyrazole-5-carboxylic acid is COc1ccc2c(-c3cc(C(=O)O)[nH]n3)c(C)[nH]c2c1.
What is the InChIKey of 3-(6-methoxy-2-methyl-1H-indol-3-yl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is FPYCLNOSKMZXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-7-13(11-6-12(14(18)19)17-16-11)9-4-3-8(20-2)5-10(9)15-7/h3-6,15H,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 3-(6-methoxy-2-methyl-1H-indol-3-yl)-1H-pyrazole-5-carboxylic acid?
3-(6-methoxy-2-methyl-1H-indol-3-yl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 271.28 g/mol, XLogP of 2.57, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-2-methyl-1H-indol-3-yl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 136986065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).