3-(4-methoxy-1-methylindol-6-yl)-1H-pyrazole-5-carboxylic acid

C14H13N3O3 — CID 117430716

IUPAC3-(4-methoxy-1-methylindol-6-yl)-1H-pyrazole-5-carboxylic acid
SMILESCOc1cc(-c2cc(C(=O)O)[nH]n2)cc2c1ccn2C
InChIInChI=1S/C14H13N3O3/c1-17-4-3-9-12(17)5-8(6-13(9)20-2)10-7-11(14(18)19)16-15-10/h3-7H,1-2H3,(H,15,16)(H,18,19)
InChIKeyNSYPKZGILZWISG-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.28
Rot. Bonds3

About 3-(4-methoxy-1-methylindol-6-yl)-1H-pyrazole-5-carboxylic acid

3-(4-methoxy-1-methylindol-6-yl)-1H-pyrazole-5-carboxylic acid (PubChem CID 117430716) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 3-(4-methoxy-1-methylindol-6-yl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(4-methoxy-1-methylindol-6-yl)-1H-pyrazole-5-carboxylic acid
PubChem CID117430716
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name3-(4-methoxy-1-methylindol-6-yl)-1H-pyrazole-5-carboxylic acid
SMILESCOc1cc(-c2cc(C(=O)O)[nH]n2)cc2c1ccn2C
InChIInChI=1S/C14H13N3O3/c1-17-4-3-9-12(17)5-8(6-13(9)20-2)10-7-11(14(18)19)16-15-10/h3-7H,1-2H3,(H,15,16)(H,18,19)
InChIKeyNSYPKZGILZWISG-UHFFFAOYSA-N
XLogP2.28
TPSA80.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-formyl-4,5-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 117442030
3-[3-(fluoromethyl)-4,5-dimethoxyphenyl]-1H-pyrazole-5-carboxylic acid
CID 117449674
3-(4-hydroxy-3-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 135658624
3-[3-(1-fluoroethyl)-4,5-dimethoxyphenyl]-1H-pyrazole-5-carboxylic acid
CID 117474676
3-(4-fluoro-3-methoxy-5-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117378382
3-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117499988
3-(3-tert-butyl-4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 3521834
ethane;3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxylic acid
CID 143757787
3-[3-(fluoromethyl)-4-methoxyphenyl]-1H-pyrazole-5-carboxylic acid
CID 117378384
3-(3-methoxy-5-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117336054
3-(2,3-dimethoxy-5,6-dimethylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117442260
N-(benzenesulfonyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 171617358

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-1-methylindol-6-yl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(4-methoxy-1-methylindol-6-yl)-1H-pyrazole-5-carboxylic acid (CID 117430716) is 3-(4-methoxy-1-methylindol-6-yl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(4-methoxy-1-methylindol-6-yl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(4-methoxy-1-methylindol-6-yl)-1H-pyrazole-5-carboxylic acid is COc1cc(-c2cc(C(=O)O)[nH]n2)cc2c1ccn2C.
What is the InChIKey of 3-(4-methoxy-1-methylindol-6-yl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is NSYPKZGILZWISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-17-4-3-9-12(17)5-8(6-13(9)20-2)10-7-11(14(18)19)16-15-10/h3-7H,1-2H3,(H,15,16)(H,18,19).
What are the key properties of 3-(4-methoxy-1-methylindol-6-yl)-1H-pyrazole-5-carboxylic acid?
3-(4-methoxy-1-methylindol-6-yl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 271.28 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-1-methylindol-6-yl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 117430716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).