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

C15H15N3O3 — CID 117459375

IUPAC5-(4-methoxy-1-methylindol-5-yl)-1-methylpyrazole-3-carboxylic acid
SMILESCOc1c(-c2cc(C(=O)O)nn2C)ccc2c1ccn2C
InChIInChI=1S/C15H15N3O3/c1-17-7-6-10-12(17)5-4-9(14(10)21-3)13-8-11(15(19)20)16-18(13)2/h4-8H,1-3H3,(H,19,20)
InChIKeyPQZPDMAPDLWNNR-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.29
Rot. Bonds3

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

5-(4-methoxy-1-methylindol-5-yl)-1-methylpyrazole-3-carboxylic acid (PubChem CID 117459375) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 5-(4-methoxy-1-methylindol-5-yl)-1-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-methoxy-1-methylindol-5-yl)-1-methylpyrazole-3-carboxylic acid
PubChem CID117459375
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name5-(4-methoxy-1-methylindol-5-yl)-1-methylpyrazole-3-carboxylic acid
SMILESCOc1c(-c2cc(C(=O)O)nn2C)ccc2c1ccn2C
InChIInChI=1S/C15H15N3O3/c1-17-7-6-10-12(17)5-4-9(14(10)21-3)13-8-11(15(19)20)16-18(13)2/h4-8H,1-3H3,(H,19,20)
InChIKeyPQZPDMAPDLWNNR-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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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-1-methylindol-5-yl)-1-methylpyrazole-3-carboxylic acid?
The IUPAC name of 5-(4-methoxy-1-methylindol-5-yl)-1-methylpyrazole-3-carboxylic acid (CID 117459375) is 5-(4-methoxy-1-methylindol-5-yl)-1-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(4-methoxy-1-methylindol-5-yl)-1-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-(4-methoxy-1-methylindol-5-yl)-1-methylpyrazole-3-carboxylic acid is COc1c(-c2cc(C(=O)O)nn2C)ccc2c1ccn2C.
What is the InChIKey of 5-(4-methoxy-1-methylindol-5-yl)-1-methylpyrazole-3-carboxylic acid?
The InChIKey is PQZPDMAPDLWNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-17-7-6-10-12(17)5-4-9(14(10)21-3)13-8-11(15(19)20)16-18(13)2/h4-8H,1-3H3,(H,19,20).
What are the key properties of 5-(4-methoxy-1-methylindol-5-yl)-1-methylpyrazole-3-carboxylic acid?
5-(4-methoxy-1-methylindol-5-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-(4-methoxy-1-methylindol-5-yl)-1-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 117459375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).