5-(1,7-dimethylindol-2-yl)-1-methylpyrazole-3-carboxylic acid

C15H15N3O2 — CID 115107937

IUPAC5-(1,7-dimethylindol-2-yl)-1-methylpyrazole-3-carboxylic acid
SMILESCc1cccc2cc(-c3cc(C(=O)O)nn3C)n(C)c12
InChIInChI=1S/C15H15N3O2/c1-9-5-4-6-10-7-12(17(2)14(9)10)13-8-11(15(19)20)16-18(13)3/h4-8H,1-3H3,(H,19,20)
InChIKeyHKQVLINWQDQJKV-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.59
Rot. Bonds2

About 5-(1,7-dimethylindol-2-yl)-1-methylpyrazole-3-carboxylic acid

5-(1,7-dimethylindol-2-yl)-1-methylpyrazole-3-carboxylic acid (PubChem CID 115107937) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 5-(1,7-dimethylindol-2-yl)-1-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(1,7-dimethylindol-2-yl)-1-methylpyrazole-3-carboxylic acid
PubChem CID115107937
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name5-(1,7-dimethylindol-2-yl)-1-methylpyrazole-3-carboxylic acid
SMILESCc1cccc2cc(-c3cc(C(=O)O)nn3C)n(C)c12
InChIInChI=1S/C15H15N3O2/c1-9-5-4-6-10-7-12(17(2)14(9)10)13-8-11(15(19)20)16-18(13)3/h4-8H,1-3H3,(H,19,20)
InChIKeyHKQVLINWQDQJKV-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

1-methyl-5-(7-methyl-1H-indol-2-yl)pyrazole-3-carboxylic acid
CID 136985722
5-(2-chloro-3-methylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117380089
5-(4-fluoro-1-methylindol-2-yl)-1-methylpyrazole-3-carboxylic acid
CID 115108105
1-methyl-5-(7-methyl-2,3-dihydro-1H-inden-4-yl)pyrazole-3-carboxylic acid
CID 117394178
2-[(1,7-dimethylindole-2-carbonyl)amino]acetic acid
CID 110835889
1-methyl-5-(4-methyl-1H-indol-2-yl)pyrazole-3-carboxylic acid
CID 136985802
5-(2-cyclopentyloxy-6-methylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117484177
5-(2,3-difluoro-4-methylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117383215
5-(3-chloro-4-methylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 168912055
5-(7-chloro-1-benzofuran-2-yl)-1-methylpyrazole-3-carboxylic acid
CID 115109824
5-(1-benzothiophen-2-yl)-1-methylpyrazole-3-carboxylic acid
CID 115109785
5-(furan-2-yl)-1-methylpyrazole-3-carboxylic acid
CID 7537639

Frequently Asked Questions

What is the IUPAC name of 5-(1,7-dimethylindol-2-yl)-1-methylpyrazole-3-carboxylic acid?
The IUPAC name of 5-(1,7-dimethylindol-2-yl)-1-methylpyrazole-3-carboxylic acid (CID 115107937) is 5-(1,7-dimethylindol-2-yl)-1-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(1,7-dimethylindol-2-yl)-1-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-(1,7-dimethylindol-2-yl)-1-methylpyrazole-3-carboxylic acid is Cc1cccc2cc(-c3cc(C(=O)O)nn3C)n(C)c12.
What is the InChIKey of 5-(1,7-dimethylindol-2-yl)-1-methylpyrazole-3-carboxylic acid?
The InChIKey is HKQVLINWQDQJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-9-5-4-6-10-7-12(17(2)14(9)10)13-8-11(15(19)20)16-18(13)3/h4-8H,1-3H3,(H,19,20).
What are the key properties of 5-(1,7-dimethylindol-2-yl)-1-methylpyrazole-3-carboxylic acid?
5-(1,7-dimethylindol-2-yl)-1-methylpyrazole-3-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-(1,7-dimethylindol-2-yl)-1-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 115107937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).