5-(7-methoxy-1-methylindol-4-yl)-1-methylpyrazole-3-carboxylic acid

C15H15N3O3 — CID 117459377

IUPAC5-(7-methoxy-1-methylindol-4-yl)-1-methylpyrazole-3-carboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)O)nn2C)c2ccn(C)c12
InChIInChI=1S/C15H15N3O3/c1-17-7-6-10-9(4-5-13(21-3)14(10)17)12-8-11(15(19)20)16-18(12)2/h4-8H,1-3H3,(H,19,20)
InChIKeyHBOQLQRAISFCQH-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.29
Rot. Bonds3

About 5-(7-methoxy-1-methylindol-4-yl)-1-methylpyrazole-3-carboxylic acid

5-(7-methoxy-1-methylindol-4-yl)-1-methylpyrazole-3-carboxylic acid (PubChem CID 117459377) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 5-(7-methoxy-1-methylindol-4-yl)-1-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(7-methoxy-1-methylindol-4-yl)-1-methylpyrazole-3-carboxylic acid
PubChem CID117459377
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name5-(7-methoxy-1-methylindol-4-yl)-1-methylpyrazole-3-carboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)O)nn2C)c2ccn(C)c12
InChIInChI=1S/C15H15N3O3/c1-17-7-6-10-9(4-5-13(21-3)14(10)17)12-8-11(15(19)20)16-18(12)2/h4-8H,1-3H3,(H,19,20)
InChIKeyHBOQLQRAISFCQH-UHFFFAOYSA-N
XLogP2.29
TPSA69.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-methoxy-1-methylindol-5-yl)-1-methylpyrazole-3-carboxylic acid
CID 117459375
5-(2-hydroxy-3,4-dimethoxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 136932005
5-(7-methoxy-1-methylindol-4-yl)-1,2-oxazole-3-carboxylic acid
CID 117433252
5-[2,4-dimethoxy-3-(methoxymethyl)phenyl]-1-methylpyrazole-3-carboxylic acid
CID 117491526
5-(4-fluoro-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 68642030
5-(2,5-dimethoxy-3,4-dimethylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117469018
5-(4-chloro-3-fluoro-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117458112
5-(2-hydroxy-3-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 136998005
5-[5-(2,2-dimethylpropyl)-2-methoxyphenyl]-1-methylpyrazole-3-carboxylic acid
CID 117487199
5-(5-cyclopentyl-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117484183
5-(5-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazole-3-carboxylic acid
CID 117468837
5-(2-chloro-4-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 82304558

Frequently Asked Questions

What is the IUPAC name of 5-(7-methoxy-1-methylindol-4-yl)-1-methylpyrazole-3-carboxylic acid?
The IUPAC name of 5-(7-methoxy-1-methylindol-4-yl)-1-methylpyrazole-3-carboxylic acid (CID 117459377) is 5-(7-methoxy-1-methylindol-4-yl)-1-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(7-methoxy-1-methylindol-4-yl)-1-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-(7-methoxy-1-methylindol-4-yl)-1-methylpyrazole-3-carboxylic acid is COc1ccc(-c2cc(C(=O)O)nn2C)c2ccn(C)c12.
What is the InChIKey of 5-(7-methoxy-1-methylindol-4-yl)-1-methylpyrazole-3-carboxylic acid?
The InChIKey is HBOQLQRAISFCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-17-7-6-10-9(4-5-13(21-3)14(10)17)12-8-11(15(19)20)16-18(12)2/h4-8H,1-3H3,(H,19,20).
What are the key properties of 5-(7-methoxy-1-methylindol-4-yl)-1-methylpyrazole-3-carboxylic acid?
5-(7-methoxy-1-methylindol-4-yl)-1-methylpyrazole-3-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-methoxy-1-methylindol-4-yl)-1-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 117459377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).