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

C14H13N3O2 — CID 136985778

IUPAC1-methyl-5-(5-methyl-1H-indol-2-yl)pyrazole-3-carboxylic acid
SMILESCc1ccc2[nH]c(-c3cc(C(=O)O)nn3C)cc2c1
InChIInChI=1S/C14H13N3O2/c1-8-3-4-10-9(5-8)6-11(15-10)13-7-12(14(18)19)16-17(13)2/h3-7,15H,1-2H3,(H,18,19)
InChIKeySOKQOAIGXOOUGT-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.58
Rot. Bonds2

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

1-methyl-5-(5-methyl-1H-indol-2-yl)pyrazole-3-carboxylic acid (PubChem CID 136985778) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 1-methyl-5-(5-methyl-1H-indol-2-yl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-(5-methyl-1H-indol-2-yl)pyrazole-3-carboxylic acid
PubChem CID136985778
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name1-methyl-5-(5-methyl-1H-indol-2-yl)pyrazole-3-carboxylic acid
SMILESCc1ccc2[nH]c(-c3cc(C(=O)O)nn3C)cc2c1
InChIInChI=1S/C14H13N3O2/c1-8-3-4-10-9(5-8)6-11(15-10)13-7-12(14(18)19)16-17(13)2/h3-7,15H,1-2H3,(H,18,19)
InChIKeySOKQOAIGXOOUGT-UHFFFAOYSA-N
XLogP2.58
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(5-hydroxy-1H-indol-2-yl)-1-methylpyrazole-3-carboxylic acid
CID 136985793
1-methyl-5-(4-methyl-1H-indol-2-yl)pyrazole-3-carboxylic acid
CID 136985802
1-methyl-5-(7-methyl-1H-indol-2-yl)pyrazole-3-carboxylic acid
CID 136985722
1-methyl-5-(6-methyl-1H-indol-3-yl)pyrazole-3-carboxylic acid
CID 136985862
5-(5-methyl-1H-indol-2-yl)-1,3-oxazole-2-carboxylic acid
CID 82387106
1-methyl-5-(3-methyl-1H-indol-5-yl)pyrazole-3-carboxylic acid
CID 117390911
5-(1H-indazol-5-yl)-1-methylpyrazole-3-carboxylic acid
CID 117357229
5-(1,7-dimethylindol-2-yl)-1-methylpyrazole-3-carboxylic acid
CID 115107937
N-[2-(3,3-difluoroazetidin-1-yl)ethyl]-5-(5-fluoro-1H-indol-2-yl)-1-methylpyrazole-3-carboxamide
CID 135894380
5-(4,5-difluoro-2-hydroxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 136942334
3-(5-hydroxy-1H-indol-2-yl)-1-methylpyrazole-5-carboxylic acid
CID 136985667
5-(2-ethyl-3H-benzimidazol-5-yl)-1-methylpyrazole-3-carboxylic acid
CID 82501989

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(5-methyl-1H-indol-2-yl)pyrazole-3-carboxylic acid?
The IUPAC name of 1-methyl-5-(5-methyl-1H-indol-2-yl)pyrazole-3-carboxylic acid (CID 136985778) is 1-methyl-5-(5-methyl-1H-indol-2-yl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-methyl-5-(5-methyl-1H-indol-2-yl)pyrazole-3-carboxylic acid?
The canonical SMILES for 1-methyl-5-(5-methyl-1H-indol-2-yl)pyrazole-3-carboxylic acid is Cc1ccc2[nH]c(-c3cc(C(=O)O)nn3C)cc2c1.
What is the InChIKey of 1-methyl-5-(5-methyl-1H-indol-2-yl)pyrazole-3-carboxylic acid?
The InChIKey is SOKQOAIGXOOUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-8-3-4-10-9(5-8)6-11(15-10)13-7-12(14(18)19)16-17(13)2/h3-7,15H,1-2H3,(H,18,19).
What are the key properties of 1-methyl-5-(5-methyl-1H-indol-2-yl)pyrazole-3-carboxylic acid?
1-methyl-5-(5-methyl-1H-indol-2-yl)pyrazole-3-carboxylic acid has a molecular weight of 255.28 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(5-methyl-1H-indol-2-yl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 136985778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).