5-(1,6-dimethylindol-3-yl)-1-methylpyrazole-4-carboxylic acid

C15H15N3O2 — CID 115108884

IUPAC5-(1,6-dimethylindol-3-yl)-1-methylpyrazole-4-carboxylic acid
SMILESCc1ccc2c(-c3c(C(=O)O)cnn3C)cn(C)c2c1
InChIInChI=1S/C15H15N3O2/c1-9-4-5-10-12(8-17(2)13(10)6-9)14-11(15(19)20)7-16-18(14)3/h4-8H,1-3H3,(H,19,20)
InChIKeyAZYYDVZYEHBJSW-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.59
Rot. Bonds2

About 5-(1,6-dimethylindol-3-yl)-1-methylpyrazole-4-carboxylic acid

5-(1,6-dimethylindol-3-yl)-1-methylpyrazole-4-carboxylic acid (PubChem CID 115108884) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 5-(1,6-dimethylindol-3-yl)-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(1,6-dimethylindol-3-yl)-1-methylpyrazole-4-carboxylic acid
PubChem CID115108884
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name5-(1,6-dimethylindol-3-yl)-1-methylpyrazole-4-carboxylic acid
SMILESCc1ccc2c(-c3c(C(=O)O)cnn3C)cn(C)c2c1
InChIInChI=1S/C15H15N3O2/c1-9-4-5-10-12(8-17(2)13(10)6-9)14-11(15(19)20)7-16-18(14)3/h4-8H,1-3H3,(H,19,20)
InChIKeyAZYYDVZYEHBJSW-UHFFFAOYSA-N
XLogP2.59
TPSA60.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(6-chloro-1-methylindol-3-yl)-1-methylpyrazole-4-carboxylic acid
CID 115108940
1-methyl-5-(6-methyl-1-benzofuran-2-yl)pyrazole-4-carboxylic acid
CID 115109556
1-methyl-5-(2,4,6-trimethylphenyl)pyrazole-4-carboxylic acid
CID 82294230
5-(2-methoxy-4,5-dimethylphenyl)-1-methylpyrazole-4-carboxylic acid
CID 82301586
1-methyl-5-(3-methyl-1,2-thiazol-5-yl)pyrazole-4-carboxylic acid
CID 131070981
1-methyl-5-(2-methylpyrazol-3-yl)pyrazole-4-carboxylic acid
CID 130678199
1-(1,6-dimethylindol-3-yl)-2,2-difluoroethanone
CID 103513702
1-methyl-5-(1-methylimidazol-4-yl)pyrazole-4-carboxylic acid
CID 127019917
5-(2,4-dimethoxyphenyl)-1-methylpyrazole-4-carboxylic acid
CID 82302598
1-methyl-5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-4-carboxylic acid
CID 82488960
(1,6-dimethylindol-3-yl)-trimethylsilane
CID 177474758
1,7-dimethyl-3-(4-methylphenyl)quinolin-4-one
CID 59110361

Frequently Asked Questions

What is the IUPAC name of 5-(1,6-dimethylindol-3-yl)-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 5-(1,6-dimethylindol-3-yl)-1-methylpyrazole-4-carboxylic acid (CID 115108884) is 5-(1,6-dimethylindol-3-yl)-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(1,6-dimethylindol-3-yl)-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-(1,6-dimethylindol-3-yl)-1-methylpyrazole-4-carboxylic acid is Cc1ccc2c(-c3c(C(=O)O)cnn3C)cn(C)c2c1.
What is the InChIKey of 5-(1,6-dimethylindol-3-yl)-1-methylpyrazole-4-carboxylic acid?
The InChIKey is AZYYDVZYEHBJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-9-4-5-10-12(8-17(2)13(10)6-9)14-11(15(19)20)7-16-18(14)3/h4-8H,1-3H3,(H,19,20).
What are the key properties of 5-(1,6-dimethylindol-3-yl)-1-methylpyrazole-4-carboxylic acid?
5-(1,6-dimethylindol-3-yl)-1-methylpyrazole-4-carboxylic acid has a molecular weight of 269.30 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,6-dimethylindol-3-yl)-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 115108884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).